CID 68495520

2-(4-bromo-2-(hydroxymethyl)phenyl)propan-2-ol

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

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

InChI

InChI=1S/C10H13BrO2/c1-10(2,13)9-4-3-8(11)5-7(9)6-12/h3-5,12-13H,6H2,1-2H3

InChIKey

IRBLVWPWZRZNIR-UHFFFAOYSA-N

Compound name

2-[4-bromo-2-(hydroxymethyl)phenyl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 244.00989 Da
Monoisotopic Mass: 1.4
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]+	245.017166	147.4
[M+Na]+	266.999108	158.6
[M-H]-	243.002614	151.5
[M+NH4]+	262.043713	167.6
[M+K]+	282.973048	147.0
[M+H-H2O]+	227.007150	148.3
[M+HCOO]-	289.008091	165.0
[M+CH3COO]-	303.023741	186.1
[M+Na-2H]-	264.984556	154.1
[M]+	244.00934142	165.5
[M]-	244.01043858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe