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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01631 126.1
[M+Na]+ 178.99825 135.5
[M-H]- 155.00175 126.9
[M+NH4]+ 174.04285 145.0
[M+K]+ 194.97219 132.6
[M+H-H2O]+ 139.00629 119.6
[M+HCOO]- 201.00723 143.8
[M+CH3COO]- 215.02288 173.5
[M+Na-2H]- 176.98370 134.4
[M]+ 156.00848 127.8
[M]- 156.00958 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.