CID 16227365

923676-92-0

Structural Information

Molecular Formula
C8H5F3N2O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)C(F)(F)F)C#N
InChI
InChI=1S/C8H5F3N2O2S/c9-8(10,11)7-3-6(16(13,14)15)2-1-5(7)4-12/h1-3H,(H2,13,14,15)
InChIKey
NDNVZATXCGMNHR-UHFFFAOYSA-N
Compound name
4-cyano-3-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.00238 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.009656 153.8
[M+Na]+ 272.991598 164.8
[M-H]- 248.995104 154.0
[M+NH4]+ 268.036203 169.2
[M+K]+ 288.965538 161.7
[M+H-H2O]+ 232.999640 139.6
[M+HCOO]- 295.000581 165.1
[M+CH3COO]- 309.016231 201.9
[M+Na-2H]- 270.977046 156.2
[M]+ 250.00183142 146.1
[M]- 250.00292858 146.1
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