CID 2778018

2-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C7H6F3NO2S
SMILES
C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKey
AFFPZJFLSDVZBV-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1008
Patents

225.00714 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.014416 139.4
[M+Na]+ 247.996358 149.0
[M-H]- 223.999864 139.2
[M+NH4]+ 243.040963 157.5
[M+K]+ 263.970298 145.3
[M+H-H2O]+ 208.004400 131.5
[M+HCOO]- 270.005341 154.1
[M+CH3COO]- 284.020991 185.1
[M+Na-2H]- 245.981806 143.7
[M]+ 225.00659142 136.0
[M]- 225.00768858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe