CID 45791862

3-fluoro-5-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H5FN2O4S
SMILES
C1=C(C=C(C=C1F)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H5FN2O4S/c7-4-1-5(9(10)11)3-6(2-4)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKey
NGLZODITESTMCJ-UHFFFAOYSA-N
Compound name
3-fluoro-5-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.9954 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe