CID 55263320

1-(3-chloropyrazin-2-yl)ethanone

Structural Information

Molecular Formula
C6H5ClN2O
SMILES
CC(=O)C1=NC=CN=C1Cl
InChI
InChI=1S/C6H5ClN2O/c1-4(10)5-6(7)9-3-2-8-5/h2-3H,1H3
InChIKey
LMFLUWCATJHPFJ-UHFFFAOYSA-N
Compound name
1-(3-chloropyrazin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
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 125.7
[M+Na]+ 178.99825 136.1
[M-H]- 155.00175 126.9
[M+NH4]+ 174.04285 145.0
[M+K]+ 194.97219 133.2
[M+H-H2O]+ 139.00629 119.6
[M+HCOO]- 201.00723 143.4
[M+CH3COO]- 215.02288 174.6
[M+Na-2H]- 176.98370 133.3
[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

patents stripe