CID 44828689

1-(5-chloropyrazin-2-yl)ethanone

Structural Information

Molecular Formula
C6H5ClN2O
SMILES
CC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C6H5ClN2O/c1-4(10)5-2-9-6(7)3-8-5/h2-3H,1H3
InChIKey
NMMJHUZSTPHGCA-UHFFFAOYSA-N
Compound name
1-(5-chloropyrazin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

156.00903 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.016306 125.7
[M+Na]+ 178.998248 136.1
[M-H]- 155.001754 126.9
[M+NH4]+ 174.042853 145.0
[M+K]+ 194.972188 133.2
[M+H-H2O]+ 139.006290 119.6
[M+HCOO]- 201.007231 143.4
[M+CH3COO]- 215.022881 174.6
[M+Na-2H]- 176.983696 133.3
[M]+ 156.00848142 127.8
[M]- 156.00957858 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