CID 6425184

Methyl 4-bromo-3-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

713
Patents

229.95786 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 137.7
[M+Na]+ 252.94708 149.8
[M-H]- 228.95058 143.3
[M+NH4]+ 247.99168 158.9
[M+K]+ 268.92102 139.5
[M+H-H2O]+ 212.95512 138.1
[M+HCOO]- 274.95606 158.4
[M+CH3COO]- 288.97171 183.8
[M+Na-2H]- 250.93253 144.3
[M]+ 229.95731 157.4
[M]- 229.95841 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

literature stripe

Patent stripe

patents stripe