CID 11779931

2-amino-3-bromo-5-chlorobenzoic acid

Structural Information

Molecular Formula
C7H5BrClNO2
SMILES
C1=C(C=C(C(=C1C(=O)O)N)Br)Cl
InChI
InChI=1S/C7H5BrClNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)
InChIKey
PWXLBVZWVKCFHR-UHFFFAOYSA-N
Compound name
2-amino-3-bromo-5-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

248.91922 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.926496 139.7
[M+Na]+ 271.908438 153.1
[M-H]- 247.911944 145.0
[M+NH4]+ 266.953043 160.7
[M+K]+ 287.882378 139.8
[M+H-H2O]+ 231.916480 140.7
[M+HCOO]- 293.917421 156.4
[M+CH3COO]- 307.933071 188.5
[M+Na-2H]- 269.893886 145.0
[M]+ 248.91867142 158.3
[M]- 248.91976858 158.3
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