CID 84696334

1783974-49-1

Structural Information

Molecular Formula

C₉H₁₀BrFO

SMILES

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

InChI

InChI=1S/C9H10BrFO/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5,12H,1-2H3

InChIKey

CTHIITDLWISIKF-UHFFFAOYSA-N

Compound name

2-(3-bromo-5-fluorophenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 231.98991 Da
Monoisotopic Mass: 2.4
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]+	232.997186	142.7
[M+Na]+	254.979128	155.1
[M-H]-	230.982634	147.1
[M+NH4]+	250.023733	164.2
[M+K]+	270.953068	143.6
[M+H-H2O]+	214.987170	143.0
[M+HCOO]-	276.988111	161.0
[M+CH3COO]-	291.003761	186.4
[M+Na-2H]-	252.964576	149.8
[M]+	231.98936142	159.9
[M]-	231.99045858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe