PubChemLite - Einecs 265-437-3 (C20H5F37O)

Structural Information

Molecular Formula

SMILES

C(CO)C(C(C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20H5F37O/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h58H,1-2H2

InChIKey

FDCQNVKWWMNRQN-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-1-ol

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]+	964.98228	235.3
[M+Na]+	986.96422	236.1
[M-H]-	962.96772	247.4
[M+NH4]+	982.00882	245.8
[M+K]+	1002.9382	251.8
[M+H-H2O]+	946.97226	222.7
[M+HCOO]-	1008.9732	247.8
[M+CH3COO]-	1022.9889	275.3
[M+Na-2H]-	984.94967	238.7
[M]+	963.97445	230.2
[M]-	963.97555	230.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

964.98228

235.3

[M+Na]+

986.96422

236.1

[M-H]-

962.96772

247.4

[M+NH4]+

982.00882

245.8

[M+K]+

1002.9382

251.8

[M+H-H2O]+

946.97226

222.7

[M+HCOO]-

1008.9732

247.8

[M+CH3COO]-

1022.9889

275.3

[M+Na-2H]-

984.94967

238.7

[M]+

963.97445

230.2

[M]-

963.97555

230.2

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

Einecs 265-437-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe