CID 129957228

3-bromo-5-formylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H6BrNO3S
SMILES
C1=C(C=C(C=C1S(=O)(=O)N)Br)C=O
InChI
InChI=1S/C7H6BrNO3S/c8-6-1-5(4-10)2-7(3-6)13(9,11)12/h1-4H,(H2,9,11,12)
InChIKey
JAEAKKUKOICUIQ-UHFFFAOYSA-N
Compound name
3-bromo-5-formylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.92517 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.93245 136.2
[M+Na]+ 285.91439 149.4
[M-H]- 261.91789 142.8
[M+NH4]+ 280.95899 156.7
[M+K]+ 301.88833 137.0
[M+H-H2O]+ 245.92243 136.2
[M+HCOO]- 307.92337 153.7
[M+CH3COO]- 321.93902 189.6
[M+Na-2H]- 283.89984 142.7
[M]+ 262.92462 156.5
[M]- 262.92572 156.5
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.