CID 119684

1-hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-

Structural Information

Molecular Formula
C6H4ClF9O2S
SMILES
C(CS(=O)(=O)Cl)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4ClF9O2S/c7-19(17,18)2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2
InChIKey
VKUQIBIIJYOHSC-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

345.9477 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.95498 153.7
[M+Na]+ 368.93692 163.5
[M-H]- 344.94042 143.8
[M+NH4]+ 363.98152 167.6
[M+K]+ 384.91086 158.8
[M+H-H2O]+ 328.94496 143.4
[M+HCOO]- 390.94590 152.0
[M+CH3COO]- 404.96155 204.5
[M+Na-2H]- 366.92237 157.2
[M]+ 345.94715 145.4
[M]- 345.94825 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe