CID 2737004

175278-33-8

Structural Information

Molecular Formula

C₇H₅BrF₂O

SMILES

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

InChI

InChI=1S/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H

InChIKey

VHEICCMNYWNFQX-UHFFFAOYSA-N

Compound name

1-bromo-2-(difluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 221.94917 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]+	222.95645	136.7
[M+Na]+	244.93839	148.8
[M-H]-	220.94189	140.8
[M+NH4]+	239.98299	158.7
[M+K]+	260.91233	138.4
[M+H-H2O]+	204.94643	135.6
[M+HCOO]-	266.94737	156.6
[M+CH3COO]-	280.96302	185.2
[M+Na-2H]-	242.92384	143.6
[M]+	221.94862	153.4
[M]-	221.94972	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe