CID 118199866

1523194-44-6

Structural Information

Molecular Formula

C₈H₆BrF₂NO₂

SMILES

C1=CC(=NC=C1C(=O)CBr)OC(F)F

InChI

InChI=1S/C8H6BrF2NO2/c9-3-6(13)5-1-2-7(12-4-5)14-8(10)11/h1-2,4,8H,3H2

InChIKey

QLCNKZRPRRBRNQ-UHFFFAOYSA-N

Compound name

2-bromo-1-[6-(difluoromethoxy)pyridin-3-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 264.955 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]+	265.96228	145.6
[M+Na]+	287.94422	157.0
[M-H]-	263.94772	148.1
[M+NH4]+	282.98882	164.3
[M+K]+	303.91816	146.6
[M+H-H2O]+	247.95226	143.3
[M+HCOO]-	309.95320	163.4
[M+CH3COO]-	323.96885	192.2
[M+Na-2H]-	285.92967	150.9
[M]+	264.95445	163.2
[M]-	264.95555	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe