CID 14783646

2,3,5-trichloroquinoxaline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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

No literature data available for this compound.

Patent stripe

patents stripe