PubChemLite - 57101-59-4 (C30F57N3)

Structural Information

Molecular Formula

SMILES

C1(=NC(=NC(=N1)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C30F57N3/c31-4(32,7(37,38)10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)81)1-88-2(5(33,34)8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(82,83)84)90-3(89-1)6(35,36)9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(85,86)87

InChIKey

RTAZGRONMASOMW-UHFFFAOYSA-N

Compound name

2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1485.9255	324.1
[M+Na]+	1507.9074	325.1
[M-H]-	1483.9109	334.1
[M+NH4]+	1502.9520	329.7
[M+K]+	1523.8814	332.2
[M+H-H2O]+	1467.9155	318.8
[M+HCOO]-	1529.9164	329.7
[M+CH3COO]-	1543.9321	268.4
[M+Na-2H]-	1505.8929	326.2
[M]+	1484.9177	309.6
[M]-	1484.9187	309.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1485.9255

324.1

[M+Na]+

1507.9074

325.1

[M-H]-

1483.9109

334.1

[M+NH4]+

1502.9520

329.7

[M+K]+

1523.8814

332.2

[M+H-H2O]+

1467.9155

318.8

[M+HCOO]-

1529.9164

329.7

[M+CH3COO]-

1543.9321

268.4

[M+Na-2H]-

1505.8929

326.2

[M]+

1484.9177

309.6

[M]-

1484.9187

309.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

57101-59-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe