CID 16782487

4-fluoro-3-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C6H5FN2O4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F
InChI
InChI=1S/C6H5FN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)
InChIKey
FAYVDRRKPVJSPE-UHFFFAOYSA-N
Compound name
4-fluoro-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

860
Patents

219.9954 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00268 136.3
[M+Na]+ 242.98462 144.9
[M-H]- 218.98812 139.0
[M+NH4]+ 238.02922 153.7
[M+K]+ 258.95856 137.8
[M+H-H2O]+ 202.99266 134.2
[M+HCOO]- 264.99360 156.0
[M+CH3COO]- 279.00925 178.7
[M+Na-2H]- 240.97007 142.9
[M]+ 219.99485 134.1
[M]- 219.99595 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe