CID 2777211

4-(trifluoromethoxy)benzenesulfonamide

Structural Information

Molecular Formula
C7H6F3NO3S
SMILES
C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13)
InChIKey
RGOJCHYYBKMRLL-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1164
Patents

241.00204 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00932 142.7
[M+Na]+ 263.99126 152.1
[M-H]- 239.99476 142.5
[M+NH4]+ 259.03586 160.1
[M+K]+ 279.96520 148.9
[M+H-H2O]+ 223.99930 134.6
[M+HCOO]- 286.00024 157.6
[M+CH3COO]- 300.01589 187.3
[M+Na-2H]- 261.97671 147.3
[M]+ 241.00149 140.8
[M]- 241.00259 140.8
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