CID 737467

2-(4-bromobenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C8H8BrNO4S
SMILES
C1=CC(=CC=C1S(=O)(=O)NCC(=O)O)Br
InChI
InChI=1S/C8H8BrNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKey
NDAHRASKKXWZMD-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

292.93573 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.94301 143.8
[M+Na]+ 315.92495 154.7
[M-H]- 291.92845 148.9
[M+NH4]+ 310.96955 162.2
[M+K]+ 331.89889 142.5
[M+H-H2O]+ 275.93299 143.4
[M+HCOO]- 337.93393 159.4
[M+CH3COO]- 351.94958 192.4
[M+Na-2H]- 313.91040 150.1
[M]+ 292.93518 163.9
[M]- 292.93628 163.9
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

patents stripe