CID 2405274

2-(3-bromobenzenesulfonamido)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe