CID 103695334

Methyl 2-amino-3-bromo-4-chlorobenzoate

Structural Information

Molecular Formula
C8H7BrClNO2
SMILES
COC(=O)C1=C(C(=C(C=C1)Cl)Br)N
InChI
InChI=1S/C8H7BrClNO2/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3H,11H2,1H3
InChIKey
PBDVMVUPNGZNKQ-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-bromo-4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.93488 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.942156 143.7
[M+Na]+ 285.924098 157.2
[M-H]- 261.927604 150.2
[M+NH4]+ 280.968703 164.9
[M+K]+ 301.898038 144.6
[M+H-H2O]+ 245.932140 144.4
[M+HCOO]- 307.933081 161.6
[M+CH3COO]- 321.948731 193.0
[M+Na-2H]- 283.909546 149.0
[M]+ 262.93433142 164.3
[M]- 262.93542858 164.3
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

No patent data available for this compound.