CID 463778

3-chloroquinoxaline-2-carbonitrile

Structural Information

Molecular Formula
C9H4ClN3
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)Cl)C#N
InChI
InChI=1S/C9H4ClN3/c10-9-8(5-11)12-6-3-1-2-4-7(6)13-9/h1-4H
InChIKey
XZGCIEFNBLLTSN-UHFFFAOYSA-N
Compound name
3-chloroquinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

189.00937 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe