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]+ 269.083996 159.7
[M+Na]+ 291.065938 169.5
[M-H]- 267.069444 164.1
[M+NH4]+ 286.110543 175.1
[M+K]+ 307.039878 162.2
[M+H-H2O]+ 251.073980 150.4
[M+HCOO]- 313.074921 175.7
[M+CH3COO]- 327.090571 171.4
[M+Na-2H]- 289.051386 167.9
[M]+ 268.07617142 161.9
[M]- 268.07726858 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