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

409
Patents

241.00204 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe