CID 43566195

67216-75-5

Structural Information

Molecular Formula
C7H4ClF3O2S2
SMILES
C1=CC(=CC=C1SC(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H4ClF3O2S2/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H
InChIKey
HHBAPTJSWGIASE-UHFFFAOYSA-N
Compound name
4-(trifluoromethylsulfanyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

275.92932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.93660 145.7
[M+Na]+ 298.91854 156.2
[M-H]- 274.92204 146.0
[M+NH4]+ 293.96314 163.3
[M+K]+ 314.89248 150.1
[M+H-H2O]+ 258.92658 139.0
[M+HCOO]- 320.92752 150.2
[M+CH3COO]- 334.94317 189.5
[M+Na-2H]- 296.90399 148.3
[M]+ 275.92877 146.9
[M]- 275.92987 146.9
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