CID 132398682

2172601-08-8

Structural Information

Molecular Formula
C9H6ClF5O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)C(CC(F)(F)F)(F)F
InChI
InChI=1S/C9H6ClF5O2S/c10-18(16,17)7-3-1-2-6(4-7)8(11,12)5-9(13,14)15/h1-4H,5H2
InChIKey
IGYBEHOFCJHCSW-UHFFFAOYSA-N
Compound name
3-(1,1,3,3,3-pentafluoropropyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.96973 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.97701 152.8
[M+Na]+ 330.95895 163.4
[M-H]- 306.96245 150.7
[M+NH4]+ 326.00355 169.0
[M+K]+ 346.93289 157.8
[M+H-H2O]+ 290.96699 144.3
[M+HCOO]- 352.96793 158.6
[M+CH3COO]- 366.98358 197.0
[M+Na-2H]- 328.94440 156.6
[M]+ 307.96918 151.0
[M]- 307.97028 151.0
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

No patent data available for this compound.