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

56
Patents

244.96877 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 142.1
[M+Na]+ 267.95799 153.9
[M-H]- 243.96149 147.3
[M+NH4]+ 263.00259 162.2
[M+K]+ 283.93193 143.0
[M+H-H2O]+ 227.96603 141.6
[M+HCOO]- 289.96697 162.9
[M+CH3COO]- 303.98262 189.1
[M+Na-2H]- 265.94344 147.0
[M]+ 244.96822 160.3
[M]- 244.96932 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