CID 24700086

3-[(2,2,2-trifluoroethyl)carbamoyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClF3NO3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)C(=O)NCC(F)(F)F
InChI
InChI=1S/C9H7ClF3NO3S/c10-18(16,17)7-3-1-2-6(4-7)8(15)14-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKey
HFERSAZEXBOHEJ-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.97873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.98601 160.3
[M+Na]+ 323.96795 167.3
[M+NH4]+ 319.01255 164.4
[M+K]+ 339.94189 162.2
[M-H]- 299.97145 155.7
[M+Na-2H]- 321.95340 162.8
[M]+ 300.97818 160.2
[M]- 300.97928 160.2
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.