CID 129957246

3-cyano-5-fluorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H5FN2O2S
SMILES
C1=C(C=C(C=C1F)S(=O)(=O)N)C#N
InChI
InChI=1S/C7H5FN2O2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKey
YYSZDXZYIKCOSD-UHFFFAOYSA-N
Compound name
3-cyano-5-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.00557 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01285 145.1
[M+Na]+ 222.99479 156.6
[M-H]- 198.99829 148.0
[M+NH4]+ 218.03939 162.5
[M+K]+ 238.96873 153.6
[M+H-H2O]+ 183.00283 132.5
[M+HCOO]- 245.00377 160.0
[M+CH3COO]- 259.01942 194.4
[M+Na-2H]- 220.98024 148.2
[M]+ 200.00502 139.9
[M]- 200.00612 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

No patent data available for this compound.