CID 470930

91516-39-1

Structural Information

Molecular Formula

C₆H₅ClN₂O

SMILES

C1=CN=C(C=N1)C(=O)CCl

InChI

InChI=1S/C6H5ClN2O/c7-3-6(10)5-4-8-1-2-9-5/h1-2,4H,3H2

InChIKey

MUSVFUJCZKWUTI-UHFFFAOYSA-N

Compound name

2-chloro-1-pyrazin-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 156.00903 Da
Monoisotopic Mass: 0.8
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]+	157.016306	126.1
[M+Na]+	178.998248	135.5
[M-H]-	155.001754	126.9
[M+NH4]+	174.042853	145.0
[M+K]+	194.972188	132.6
[M+H-H2O]+	139.006290	119.6
[M+HCOO]-	201.007231	143.8
[M+CH3COO]-	215.022881	173.5
[M+Na-2H]-	176.983696	134.4
[M]+	156.00848142	127.8
[M]-	156.00957858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe