CID 54594983

4-cyano-2-fluorobenzenesulfonamide

Structural Information

Molecular Formula
C7H5FN2O2S
SMILES
C1=CC(=C(C=C1C#N)F)S(=O)(=O)N
InChI
InChI=1S/C7H5FN2O2S/c8-6-3-5(4-9)1-2-7(6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKey
YBIJTPAZFNXOAW-UHFFFAOYSA-N
Compound name
4-cyano-2-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

200.00557 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.012846 145.1
[M+Na]+ 222.994788 156.6
[M-H]- 198.998294 148.0
[M+NH4]+ 218.039393 162.5
[M+K]+ 238.968728 153.6
[M+H-H2O]+ 183.002830 132.5
[M+HCOO]- 245.003771 160.0
[M+CH3COO]- 259.019421 194.4
[M+Na-2H]- 220.980236 148.2
[M]+ 200.00502142 139.9
[M]- 200.00611858 139.9
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