CID 52180822

1026796-73-5

Structural Information

Molecular Formula

C₉H₁₁BrO₂

SMILES

CC(C)OC1=CC(=CC(=C1)O)Br

InChI

InChI=1S/C9H11BrO2/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6,11H,1-2H3

InChIKey

QRSRHSIWJODVED-UHFFFAOYSA-N

Compound name

3-bromo-5-propan-2-yloxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.99425 Da
Monoisotopic Mass: 3.0
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]+	231.00153	141.3
[M+Na]+	252.98347	152.7
[M-H]-	228.98697	146.7
[M+NH4]+	248.02807	162.6
[M+K]+	268.95741	142.3
[M+H-H2O]+	212.99151	141.7
[M+HCOO]-	274.99245	161.2
[M+CH3COO]-	289.00810	186.2
[M+Na-2H]-	250.96892	147.3
[M]+	229.99370	160.7
[M]-	229.99480	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe