CID 18070

2,3,6-trichloroquinoxaline

Structural Information

Molecular Formula
C8H3Cl3N2
SMILES
C1=CC2=C(C=C1Cl)N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C8H3Cl3N2/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3H
InChIKey
GZEGFNCRZUGIOB-UHFFFAOYSA-N
Compound name
2,3,6-trichloroquinoxaline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

162
Patents

231.93619 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.943466 139.4
[M+Na]+ 254.925408 152.1
[M-H]- 230.928914 139.7
[M+NH4]+ 249.970013 157.3
[M+K]+ 270.899348 145.9
[M+H-H2O]+ 214.933450 133.8
[M+HCOO]- 276.934391 146.0
[M+CH3COO]- 290.950041 151.9
[M+Na-2H]- 252.910856 146.7
[M]+ 231.93564142 142.6
[M]- 231.93673858 142.6
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