CID 145874649

2375270-09-8

Structural Information

Molecular Formula
C7H10ClF3O2S
SMILES
C1CC(CCC1(CS(=O)(=O)Cl)F)(F)F
InChI
InChI=1S/C7H10ClF3O2S/c8-14(12,13)5-6(9)1-3-7(10,11)4-2-6/h1-5H2
InChIKey
YFNTXCLLMIPBOH-UHFFFAOYSA-N
Compound name
(1,4,4-trifluorocyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.00421 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01149 140.1
[M+Na]+ 272.99343 149.2
[M-H]- 248.99693 139.9
[M+NH4]+ 268.03803 162.3
[M+K]+ 288.96737 145.4
[M+H-H2O]+ 233.00147 135.4
[M+HCOO]- 295.00241 147.4
[M+CH3COO]- 309.01806 185.5
[M+Na-2H]- 270.97888 144.5
[M]+ 250.00366 137.8
[M]- 250.00476 137.8
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.