CID 1517130

2-(chloromethyl)-3-methylquinoxaline

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CC1=NC2=CC=CC=C2N=C1CCl
InChI
InChI=1S/C10H9ClN2/c1-7-10(6-11)13-9-5-3-2-4-8(9)12-7/h2-5H,6H2,1H3
InChIKey
MXANKYKNKHBMTR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

192.04543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052706 137.5
[M+Na]+ 215.034648 148.6
[M-H]- 191.038154 139.4
[M+NH4]+ 210.079253 156.7
[M+K]+ 231.008588 143.6
[M+H-H2O]+ 175.042690 130.6
[M+HCOO]- 237.043631 154.3
[M+CH3COO]- 251.059281 151.0
[M+Na-2H]- 213.020096 146.6
[M]+ 192.04488142 140.2
[M]- 192.04597858 140.2
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