CID 554216

4-bromo-3-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H6BrNO4S
SMILES
C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Br
InChI
InChI=1S/C7H6BrNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
XDNAVLYDHZTCRB-UHFFFAOYSA-N
Compound name
4-bromo-3-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

278.9201 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.92738 137.4
[M+Na]+ 301.90932 138.2
[M+NH4]+ 296.95392 140.3
[M+K]+ 317.88326 140.2
[M-H]- 277.91282 135.7
[M+Na-2H]- 299.89477 139.2
[M]+ 278.91955 136.0
[M]- 278.92065 136.0
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