CID 534778

57835-35-5

Structural Information

Molecular Formula

C₁₄H₂₁BrO

SMILES

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

InChI

InChI=1S/C14H21BrO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9H2,1-5H3

InChIKey

CZNHJPFJMLYYCU-UHFFFAOYSA-N

Compound name

2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 284.07758 Da
Monoisotopic Mass: 5.7
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]+	285.08486	160.0
[M+Na]+	307.06680	162.7
[M+NH4]+	302.11140	164.3
[M+K]+	323.04074	162.9
[M-H]-	283.07030	159.6
[M+Na-2H]-	305.05225	162.4
[M]+	284.07703	159.3
[M]-	284.07813	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe