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
1
Annotation Hits

0
References

7
Patents

168.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05271 132.4
[M+Na]+ 191.03465 140.6
[M-H]- 167.03815 130.8
[M+NH4]+ 186.07925 150.7
[M+K]+ 207.00859 134.7
[M+H-H2O]+ 151.04269 126.4
[M+HCOO]- 213.04363 144.0
[M+CH3COO]- 227.05928 143.9
[M+Na-2H]- 189.02010 140.3
[M]+ 168.04488 127.5
[M]- 168.04598 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