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]+ 218.047956 144.5
[M+Na]+ 240.029898 158.4
[M-H]- 216.033404 145.9
[M+NH4]+ 235.074503 161.0
[M+K]+ 256.003838 151.7
[M+H-H2O]+ 200.037940 131.3
[M+HCOO]- 262.038881 157.7
[M+CH3COO]- 276.054531 156.3
[M+Na-2H]- 238.015346 150.8
[M]+ 217.04013142 142.5
[M]- 217.04122858 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.