CID 2094175

3-(3-bromobenzenesulfonamido)propanoic acid

Structural Information

Molecular Formula
C9H10BrNO4S
SMILES
C1=CC(=CC(=C1)Br)S(=O)(=O)NCCC(=O)O
InChI
InChI=1S/C9H10BrNO4S/c10-7-2-1-3-8(6-7)16(14,15)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKey
JBXKHAAFCMCAFR-UHFFFAOYSA-N
Compound name
3-[(3-bromophenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

306.9514 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.95868 145.8
[M+Na]+ 329.94062 146.1
[M+NH4]+ 324.98522 148.5
[M+K]+ 345.91456 147.3
[M-H]- 305.94412 144.2
[M+Na-2H]- 327.92607 147.7
[M]+ 306.95085 144.3
[M]- 306.95195 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.