CID 119031141

2-bromo-4-formylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H6BrNO3S
SMILES
C1=CC(=C(C=C1C=O)Br)S(=O)(=O)N
InChI
InChI=1S/C7H6BrNO3S/c8-6-3-5(4-10)1-2-7(6)13(9,11)12/h1-4H,(H2,9,11,12)
InChIKey
LIEIYEFKUZXKKM-UHFFFAOYSA-N
Compound name
2-bromo-4-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 135.0
[M+Na]+ 285.91439 137.1
[M+NH4]+ 280.95899 138.9
[M+K]+ 301.88833 137.6
[M-H]- 261.91789 134.5
[M+Na-2H]- 283.89984 137.9
[M]+ 262.92462 134.2
[M]- 262.92572 134.2
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.