CID 20035426

76175-06-9

Structural Information

Molecular Formula

C₁₁H₁₅BrO

SMILES

CC(C)(C)OC1=CC=C(C=C1)CBr

InChI

InChI=1S/C11H15BrO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

InChIKey

LRRZLPXRRBMEPN-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 242.03062 Da
Monoisotopic Mass: 3.4
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]+	243.03790	148.0
[M+Na]+	265.01984	159.2
[M-H]-	241.02334	154.4
[M+NH4]+	260.06444	169.7
[M+K]+	280.99378	148.7
[M+H-H2O]+	225.02788	148.6
[M+HCOO]-	287.02882	168.1
[M+CH3COO]-	301.04447	190.3
[M+Na-2H]-	263.00529	155.9
[M]+	242.03007	168.4
[M]-	242.03117	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe