CID 87748

2,6-dichloroquinoxaline

Structural Information

Molecular Formula
C8H4Cl2N2
SMILES
C1=CC2=NC(=CN=C2C=C1Cl)Cl
InChI
InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H
InChIKey
WFOKVKYNVKVWFK-UHFFFAOYSA-N
Compound name
2,6-dichloroquinoxaline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

342
Patents

197.97516 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98244 133.5
[M+Na]+ 220.96438 145.7
[M-H]- 196.96788 134.9
[M+NH4]+ 216.00898 152.7
[M+K]+ 236.93832 140.0
[M+H-H2O]+ 180.97242 127.4
[M+HCOO]- 242.97336 145.7
[M+CH3COO]- 256.98901 147.0
[M+Na-2H]- 218.94983 142.8
[M]+ 197.97461 136.4
[M]- 197.97571 136.4
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