CID 24884309

2,3-dichloro-5,6,7,8-tetrahydroquinoxaline

Structural Information

Molecular Formula
C8H8Cl2N2
SMILES
C1CCC2=C(C1)N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H2
InChIKey
CRLMOTHZSCQMCW-UHFFFAOYSA-N
Compound name
2,3-dichloro-5,6,7,8-tetrahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

202.00645 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01373 137.3
[M+Na]+ 224.99567 147.4
[M-H]- 200.99917 137.9
[M+NH4]+ 220.04027 156.2
[M+K]+ 240.96961 142.1
[M+H-H2O]+ 185.00371 131.1
[M+HCOO]- 247.00465 146.6
[M+CH3COO]- 261.02030 149.6
[M+Na-2H]- 222.98112 144.4
[M]+ 202.00590 137.3
[M]- 202.00700 137.3
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