CID 3056886

73855-45-5

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CNC2=C(N1)C=CC(=C2)Cl
InChI
InChI=1S/C8H9ClN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10-11H,3-4H2
InChIKey
SBWVMNMIHNOTET-UHFFFAOYSA-N
Compound name
6-chloro-1,2,3,4-tetrahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

168.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 132.4
[M+Na]+ 191.034648 140.6
[M-H]- 167.038154 130.8
[M+NH4]+ 186.079253 150.7
[M+K]+ 207.008588 134.7
[M+H-H2O]+ 151.042690 126.4
[M+HCOO]- 213.043631 144.0
[M+CH3COO]- 227.059281 143.9
[M+Na-2H]- 189.020096 140.3
[M]+ 168.04488142 127.5
[M]- 168.04597858 127.5
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