CID 99822369

2-bromo-4-(dimethylsulfamoyl)benzoic acid

Structural Information

Molecular Formula
C9H10BrNO4S
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Br
InChI
InChI=1S/C9H10BrNO4S/c1-11(2)16(14,15)6-3-4-7(9(12)13)8(10)5-6/h3-5H,1-2H3,(H,12,13)
InChIKey
QXHSQLWDGLWDCZ-UHFFFAOYSA-N
Compound name
2-bromo-4-(dimethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.9514 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.95868 143.3
[M+Na]+ 329.94062 144.2
[M+NH4]+ 324.98522 146.3
[M+K]+ 345.91456 146.1
[M-H]- 305.94412 142.0
[M+Na-2H]- 327.92607 145.4
[M]+ 306.95085 142.1
[M]- 306.95195 142.1
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

No patent data available for this compound.