CID 61470152

Methyl 2-amino-3,6-dibromobenzoate

Structural Information

Molecular Formula
C8H7Br2NO2
SMILES
COC(=O)C1=C(C=CC(=C1N)Br)Br
InChI
InChI=1S/C8H7Br2NO2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,11H2,1H3
InChIKey
GHEZQQJVBNVTEY-UHFFFAOYSA-N
Compound name
methyl 2-amino-3,6-dibromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.88434 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.89162 142.3
[M+Na]+ 329.87356 153.2
[M-H]- 305.87706 148.9
[M+NH4]+ 324.91816 160.8
[M+K]+ 345.84750 137.6
[M+H-H2O]+ 289.88160 149.1
[M+HCOO]- 351.88254 158.7
[M+CH3COO]- 365.89819 206.0
[M+Na-2H]- 327.85901 147.6
[M]+ 306.88379 176.0
[M]- 306.88489 176.0
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.