CID 470934

3-chloroquinoxaline-2-carboxamide

Structural Information

Molecular Formula
C9H6ClN3O
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(=O)N
InChI
InChI=1S/C9H6ClN3O/c10-8-7(9(11)14)12-5-3-1-2-4-6(5)13-8/h1-4H,(H2,11,14)
InChIKey
VBUXDVSMMOZYFJ-UHFFFAOYSA-N
Compound name
3-chloroquinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.01994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02722 139.7
[M+Na]+ 230.00916 150.4
[M-H]- 206.01266 141.5
[M+NH4]+ 225.05376 157.5
[M+K]+ 245.98310 145.5
[M+H-H2O]+ 190.01720 132.9
[M+HCOO]- 252.01814 156.7
[M+CH3COO]- 266.03379 152.7
[M+Na-2H]- 227.99461 147.6
[M]+ 207.01939 140.7
[M]- 207.02049 140.7
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