CID 53216607

Methyl 3-bromo-5-hydroxybenzoate

Structural Information

Molecular Formula
C8H7BrO3
SMILES
COC(=O)C1=CC(=CC(=C1)Br)O
InChI
InChI=1S/C8H7BrO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3
InChIKey
KRTBWIIGEJIUSA-UHFFFAOYSA-N
Compound name
methyl 3-bromo-5-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

387
Patents

229.95786 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 137.7
[M+Na]+ 252.94708 140.9
[M+NH4]+ 247.99168 141.9
[M+K]+ 268.92102 142.0
[M-H]- 228.95058 137.3
[M+Na-2H]- 250.93253 140.6
[M]+ 229.95731 136.7
[M]- 229.95841 136.7
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