CID 50989789

(4-cyano-2-fluorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H7FN2O2S
SMILES
C1=CC(=C(C=C1C#N)F)CS(=O)(=O)N
InChI
InChI=1S/C8H7FN2O2S/c9-8-3-6(4-10)1-2-7(8)5-14(11,12)13/h1-3H,5H2,(H2,11,12,13)
InChIKey
VYZAYAQRJUZADD-UHFFFAOYSA-N
Compound name
(4-cyano-2-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]+ 215.02850 148.9
[M+Na]+ 237.01044 160.1
[M-H]- 213.01394 151.6
[M+NH4]+ 232.05504 165.9
[M+K]+ 252.98438 156.9
[M+H-H2O]+ 197.01848 136.1
[M+HCOO]- 259.01942 163.6
[M+CH3COO]- 273.03507 197.1
[M+Na-2H]- 234.99589 151.6
[M]+ 214.02067 144.1
[M]- 214.02177 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

No patent data available for this compound.