CID 63050266

[3-bromo-4-(difluoromethoxy)phenyl]methanol

Structural Information

Molecular Formula

C₈H₇BrF₂O₂

SMILES

C1=CC(=C(C=C1CO)Br)OC(F)F

InChI

InChI=1S/C8H7BrF2O2/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-3,8,12H,4H2

InChIKey

TUSMUJDVUFZEJK-UHFFFAOYSA-N

Compound name

[3-bromo-4-(difluoromethoxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 251.95975 Da
Monoisotopic Mass: 2.6
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]+	252.96703	149.4
[M+Na]+	274.94897	151.2
[M+NH4]+	269.99357	152.7
[M+K]+	290.92291	151.4
[M-H]-	250.95247	146.9
[M+Na-2H]-	272.93442	150.8
[M]+	251.95920	147.6
[M]-	251.96030	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe