CID 2777208

2-(trifluoromethoxy)benzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

454
Patents

241.00204 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.009316 142.7
[M+Na]+ 263.991258 152.1
[M-H]- 239.994764 142.5
[M+NH4]+ 259.035863 160.1
[M+K]+ 279.965198 148.9
[M+H-H2O]+ 223.999300 134.6
[M+HCOO]- 286.000241 157.6
[M+CH3COO]- 300.015891 187.3
[M+Na-2H]- 261.976706 147.3
[M]+ 241.00149142 140.8
[M]- 241.00258858 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

No literature data available for this compound.

Patent stripe

patents stripe