CID 86811673

5-bromo-4-fluoro-2-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H4BrFN2O4S
SMILES
C1=C(C(=CC(=C1F)Br)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H4BrFN2O4S/c7-3-1-6(15(9,13)14)5(10(11)12)2-4(3)8/h1-2H,(H2,9,13,14)
InChIKey
ZRLUOYFSJJILOO-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9059 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.91318 141.0
[M+Na]+ 320.89512 153.3
[M-H]- 296.89862 146.4
[M+NH4]+ 315.93972 159.1
[M+K]+ 336.86906 136.9
[M+H-H2O]+ 280.90316 143.6
[M+HCOO]- 342.90410 158.3
[M+CH3COO]- 356.91975 190.0
[M+Na-2H]- 318.88057 148.5
[M]+ 297.90535 158.3
[M]- 297.90645 158.3
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.