CID 43096777

4-[(2,2,2-trifluoroethyl)sulfamoyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7ClF3NO4S2
SMILES
C1=CC(=CC=C1S(=O)(=O)NCC(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClF3NO4S2/c9-18(14,15)6-1-3-7(4-2-6)19(16,17)13-5-8(10,11)12/h1-4,13H,5H2
InChIKey
LEPFENCWGMWGBO-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.9457 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.95298 161.6
[M+Na]+ 359.93492 170.8
[M-H]- 335.93842 161.5
[M+NH4]+ 354.97952 175.9
[M+K]+ 375.90886 164.4
[M+H-H2O]+ 319.94296 154.3
[M+HCOO]- 381.94390 165.9
[M+CH3COO]- 395.95955 200.1
[M+Na-2H]- 357.92037 166.2
[M]+ 336.94515 163.0
[M]- 336.94625 163.0
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.