CID 464043

3-chloro-6,7-dimethyl-quinoxaline-2-carbonitrile

Structural Information

Molecular Formula
C11H8ClN3
SMILES
CC1=CC2=C(C=C1C)N=C(C(=N2)C#N)Cl
InChI
InChI=1S/C11H8ClN3/c1-6-3-8-9(4-7(6)2)15-11(12)10(5-13)14-8/h3-4H,1-2H3
InChIKey
WTOHOSINFIQTKM-UHFFFAOYSA-N
Compound name
3-chloro-6,7-dimethylquinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.04068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04796 144.5
[M+Na]+ 240.02990 158.4
[M-H]- 216.03340 145.9
[M+NH4]+ 235.07450 161.0
[M+K]+ 256.00384 151.7
[M+H-H2O]+ 200.03794 131.3
[M+HCOO]- 262.03888 157.7
[M+CH3COO]- 276.05453 156.3
[M+Na-2H]- 238.01535 150.8
[M]+ 217.04013 142.5
[M]- 217.04123 142.5
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

No patent data available for this compound.