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

371
Patents

229.95786 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.965136 137.7
[M+Na]+ 252.947078 149.8
[M-H]- 228.950584 143.3
[M+NH4]+ 247.991683 158.9
[M+K]+ 268.921018 139.5
[M+H-H2O]+ 212.955120 138.1
[M+HCOO]- 274.956061 158.4
[M+CH3COO]- 288.971711 183.8
[M+Na-2H]- 250.932526 144.3
[M]+ 229.95731142 157.4
[M]- 229.95840858 157.4
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