CID 5273862

3-(3-chlorophenyl)benzo[g]quinoxaline

Structural Information

Molecular Formula
C18H11ClN2
SMILES
C1=CC=C2C=C3C(=CC2=C1)N=CC(=N3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C18H11ClN2/c19-15-7-3-6-14(8-15)18-11-20-16-9-12-4-1-2-5-13(12)10-17(16)21-18/h1-11H
InChIKey
ONOVRNAWZFWRAD-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)benzo[g]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.06107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06835 164.6
[M+Na]+ 313.05029 176.7
[M-H]- 289.05379 170.5
[M+NH4]+ 308.09489 180.1
[M+K]+ 329.02423 168.2
[M+H-H2O]+ 273.05833 154.7
[M+HCOO]- 335.05927 180.8
[M+CH3COO]- 349.07492 176.7
[M+Na-2H]- 311.03574 174.7
[M]+ 290.06052 168.0
[M]- 290.06162 168.0
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