CID 488812

Quinoxaline, 2-chloro-3-(2-phenylethyl)-

Structural Information

Molecular Formula
C16H13ClN2
SMILES
C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C16H13ClN2/c17-16-15(11-10-12-6-2-1-3-7-12)18-13-8-4-5-9-14(13)19-16/h1-9H,10-11H2
InChIKey
JUMIVKPCEAFASN-UHFFFAOYSA-N
Compound name
2-chloro-3-(2-phenylethyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.07672 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08400 159.7
[M+Na]+ 291.06594 169.5
[M-H]- 267.06944 164.1
[M+NH4]+ 286.11054 175.1
[M+K]+ 307.03988 162.2
[M+H-H2O]+ 251.07398 150.4
[M+HCOO]- 313.07492 175.7
[M+CH3COO]- 327.09057 171.4
[M+Na-2H]- 289.05139 167.9
[M]+ 268.07617 161.9
[M]- 268.07727 161.9
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