CID 50987759

2-chloro-3,6,7-trimethylquinoxaline

Structural Information

Molecular Formula
C11H11ClN2
SMILES
CC1=CC2=NC(=C(N=C2C=C1C)Cl)C
InChI
InChI=1S/C11H11ClN2/c1-6-4-9-10(5-7(6)2)14-11(12)8(3)13-9/h4-5H,1-3H3
InChIKey
RFEIHZCKIYFYAM-UHFFFAOYSA-N
Compound name
2-chloro-3,6,7-trimethylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.06108 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.068356 142.1
[M+Na]+ 229.050298 154.7
[M-H]- 205.053804 144.7
[M+NH4]+ 224.094903 161.4
[M+K]+ 245.024238 149.5
[M+H-H2O]+ 189.058340 135.6
[M+HCOO]- 251.059281 158.6
[M+CH3COO]- 265.074931 155.9
[M+Na-2H]- 227.035746 149.2
[M]+ 206.06053142 146.0
[M]- 206.06162858 146.0
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