CID 58254817

2-chloroquinoxaline-6-carbonitrile

Structural Information

Molecular Formula
C9H4ClN3
SMILES
C1=CC2=NC(=CN=C2C=C1C#N)Cl
InChI
InChI=1S/C9H4ClN3/c10-9-5-12-8-3-6(4-11)1-2-7(8)13-9/h1-3,5H
InChIKey
KVYFAZZUKRBQDA-UHFFFAOYSA-N
Compound name
2-chloroquinoxaline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

189.00937 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01665 136.1
[M+Na]+ 211.99859 149.3
[M-H]- 188.00209 137.1
[M+NH4]+ 207.04319 153.1
[M+K]+ 227.97253 142.8
[M+H-H2O]+ 172.00663 122.7
[M+HCOO]- 234.00757 150.0
[M+CH3COO]- 248.02322 148.1
[M+Na-2H]- 209.98404 144.8
[M]+ 189.00882 132.9
[M]- 189.00992 132.9
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