21674-38-4 (C24F45N3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24F45N3/c25-4(26,7(31,32)10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)63)1-70-2(5(27,28)8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(64,65)66)72-3(71-1)6(29,30)9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(67,68)69

InChIKey

BFAUAMWYFFXWLX-UHFFFAOYSA-N

Compound name

2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-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]+	1185.9447	266.4
[M+Na]+	1207.9266	268.8
[M-H]-	1183.9301	278.5
[M+NH4]+	1202.9712	276.2
[M+K]+	1223.9006	280.5
[M+H-H2O]+	1167.9347	257.7
[M+HCOO]-	1229.9356	277.8
[M+CH3COO]-	1243.9513	277.0
[M+Na-2H]-	1205.9121	271.0
[M]+	1184.9369	257.7
[M]-	1184.9379	257.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1185.9447

266.4

[M+Na]+

1207.9266

268.8

[M-H]-

1183.9301

278.5

[M+NH4]+

1202.9712

276.2

[M+K]+

1223.9006

280.5

[M+H-H2O]+

1167.9347

257.7

[M+HCOO]-

1229.9356

277.8

[M+CH3COO]-

1243.9513

277.0

[M+Na-2H]-

1205.9121

271.0

[M]+

1184.9369

257.7

[M]-

1184.9379

257.7

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

21674-38-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe