CID 91662813

1-bromo-4-(difluoromethoxy)-2-methoxybenzene

Structural Information

Molecular Formula

C₈H₇BrF₂O₂

SMILES

COC1=C(C=CC(=C1)OC(F)F)Br

InChI

InChI=1S/C8H7BrF2O2/c1-12-7-4-5(13-8(10)11)2-3-6(7)9/h2-4,8H,1H3

InChIKey

KPUZODUHXYIKJD-UHFFFAOYSA-N

Compound name

1-bromo-4-(difluoromethoxy)-2-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 251.95975 Da
Monoisotopic Mass: 3.8
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	148.7
[M+Na]+	274.94897	151.0
[M+NH4]+	269.99357	152.3
[M+K]+	290.92291	151.0
[M-H]-	250.95247	146.6
[M+Na-2H]-	272.93442	150.7
[M]+	251.95920	147.2
[M]-	251.96030	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe