CID 13879169

2-(3-chloropyrazin-2-yl)acetonitrile

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=CN=C(C(=N1)CC#N)Cl
InChI
InChI=1S/C6H4ClN3/c7-6-5(1-2-8)9-3-4-10-6/h3-4H,1H2
InChIKey
QYOUXNLAVKGTBD-UHFFFAOYSA-N
Compound name
2-(3-chloropyrazin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.00937 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 124.9
[M+Na]+ 175.99859 136.5
[M-H]- 152.00209 125.1
[M+NH4]+ 171.04319 142.1
[M+K]+ 191.97253 132.8
[M+H-H2O]+ 136.00663 111.7
[M+HCOO]- 198.00757 139.8
[M+CH3COO]- 212.02322 186.9
[M+Na-2H]- 173.98404 133.0
[M]+ 153.00882 121.3
[M]- 153.00992 121.3
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