CID 79016171

2-amino-2-(3-bromo-4-chlorophenyl)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H7BrClNO2
SMILES
C1=CC(=C(C=C1C(C(=O)O)N)Br)Cl
InChI
InChI=1S/C8H7BrClNO2/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKey
QLWNCGDGZWDVLB-UHFFFAOYSA-N
Compound name
2-amino-2-(3-bromo-4-chlorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.93488 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.942156 145.1
[M+Na]+ 285.924098 156.9
[M-H]- 261.927604 149.9
[M+NH4]+ 280.968703 165.1
[M+K]+ 301.898038 143.8
[M+H-H2O]+ 245.932140 145.8
[M+HCOO]- 307.933081 160.6
[M+CH3COO]- 321.948731 191.0
[M+Na-2H]- 283.909546 149.2
[M]+ 262.93433142 163.0
[M]- 262.93542858 163.0
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

No patent data available for this compound.