CID 66545110

Methyl 3-amino-5-bromo-4-hydroxybenzoate

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
COC(=O)C1=CC(=C(C(=C1)Br)O)N
InChI
InChI=1S/C8H8BrNO3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,10H2,1H3
InChIKey
GNQMYGQWBUNZBZ-UHFFFAOYSA-N
Compound name
methyl 3-amino-5-bromo-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

244.96877 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.976046 142.1
[M+Na]+ 267.957988 153.9
[M-H]- 243.961494 147.3
[M+NH4]+ 263.002593 162.2
[M+K]+ 283.931928 143.0
[M+H-H2O]+ 227.966030 141.6
[M+HCOO]- 289.966971 162.9
[M+CH3COO]- 303.982621 189.1
[M+Na-2H]- 265.943436 147.0
[M]+ 244.96822142 160.3
[M]- 244.96931858 160.3
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