CID 520977

1-phenyl-2-pyrazin-2-yl ethanone

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1=CC=C(C=C1)C(=O)CC2=NC=CN=C2
InChI
InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)8-11-9-13-6-7-14-11/h1-7,9H,8H2
InChIKey
WUYTZBFFXRNJSB-UHFFFAOYSA-N
Compound name
1-phenyl-2-pyrazin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

198.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.086596 142.0
[M+Na]+ 221.068538 149.5
[M-H]- 197.072044 145.7
[M+NH4]+ 216.113143 157.9
[M+K]+ 237.042478 146.0
[M+H-H2O]+ 181.076580 133.1
[M+HCOO]- 243.077521 163.8
[M+CH3COO]- 257.093171 183.5
[M+Na-2H]- 219.053986 150.2
[M]+ 198.07877142 141.4
[M]- 198.07986858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe