CID 50989790

(2-cyano-4-fluorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H7FN2O2S
SMILES
C1=CC(=C(C=C1F)C#N)CS(=O)(=O)N
InChI
InChI=1S/C8H7FN2O2S/c9-8-2-1-6(5-14(11,12)13)7(3-8)4-10/h1-3H,5H2,(H2,11,12,13)
InChIKey
ICDZDMBUQKYZAJ-UHFFFAOYSA-N
Compound name
(2-cyano-4-fluorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.02122 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.028496 148.9
[M+Na]+ 237.010438 160.1
[M-H]- 213.013944 151.6
[M+NH4]+ 232.055043 165.9
[M+K]+ 252.984378 156.9
[M+H-H2O]+ 197.018480 136.1
[M+HCOO]- 259.019421 163.6
[M+CH3COO]- 273.035071 197.1
[M+Na-2H]- 234.995886 151.6
[M]+ 214.02067142 144.1
[M]- 214.02176858 144.1
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