CID 15048339

(3-chloropyrazin-2-yl)(phenyl)methanone

Structural Information

Molecular Formula
C11H7ClN2O
SMILES
C1=CC=C(C=C1)C(=O)C2=NC=CN=C2Cl
InChI
InChI=1S/C11H7ClN2O/c12-11-9(13-6-7-14-11)10(15)8-4-2-1-3-5-8/h1-7H
InChIKey
HPNXDUXDGMPNOJ-UHFFFAOYSA-N
Compound name
(3-chloropyrazin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.031966 142.7
[M+Na]+ 241.013908 152.3
[M-H]- 217.017414 146.7
[M+NH4]+ 236.058513 158.9
[M+K]+ 256.987848 147.3
[M+H-H2O]+ 201.021950 134.6
[M+HCOO]- 263.022891 160.1
[M+CH3COO]- 277.038541 155.5
[M+Na-2H]- 238.999356 150.2
[M]+ 218.02414142 144.2
[M]- 218.02523858 144.2
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