CID 11010688

382150-26-7

Structural Information

Molecular Formula

C₁₀H₁₁BrO₃

SMILES

CCOC(=O)C1=CC(=C(C(=C1)C)Br)O

InChI

InChI=1S/C10H11BrO3/c1-3-14-10(13)7-4-6(2)9(11)8(12)5-7/h4-5,12H,3H2,1-2H3

InChIKey

HJPPCNABHLJUFL-UHFFFAOYSA-N

Compound name

ethyl 4-bromo-3-hydroxy-5-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 257.98917 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.99645	146.1
[M+Na]+	280.97839	158.2
[M-H]-	256.98189	151.7
[M+NH4]+	276.02299	166.5
[M+K]+	296.95233	147.5
[M+H-H2O]+	240.98643	146.3
[M+HCOO]-	302.98737	166.1
[M+CH3COO]-	317.00302	190.6
[M+Na-2H]-	278.96384	151.0
[M]+	257.98862	166.8
[M]-	257.98972	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe