CID 618706

4-amino-5-bromo-2-methoxybenzoic acid

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
COC1=CC(=C(C=C1C(=O)O)Br)N
InChI
InChI=1S/C8H8BrNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
WHXLHIGUTBQVOF-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

248
Patents

244.96877 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.976046 141.9
[M+Na]+ 267.957988 153.6
[M-H]- 243.961494 147.0
[M+NH4]+ 263.002593 161.9
[M+K]+ 283.931928 142.7
[M+H-H2O]+ 227.966030 141.4
[M+HCOO]- 289.966971 162.7
[M+CH3COO]- 303.982621 189.7
[M+Na-2H]- 265.943436 146.8
[M]+ 244.96822142 160.2
[M]- 244.96931858 160.2
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.