CID 488811

2-benzyl-3-chloroquinoxaline

Structural Information

Molecular Formula
C15H11ClN2
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C15H11ClN2/c16-15-14(10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10H2
InChIKey
WOXFHFKGZGPZBI-UHFFFAOYSA-N
Compound name
2-benzyl-3-chloroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

254.06108 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06836 155.1
[M+Na]+ 277.05030 165.3
[M-H]- 253.05380 159.6
[M+NH4]+ 272.09490 171.1
[M+K]+ 293.02424 158.3
[M+H-H2O]+ 237.05834 146.0
[M+HCOO]- 299.05928 171.4
[M+CH3COO]- 313.07493 167.2
[M+Na-2H]- 275.03575 163.8
[M]+ 254.06053 157.0
[M]- 254.06163 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe