CID 13742924

2-(chloromethyl)quinoxaline hydrochloride

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC=C2C(=C1)N=CC(=N2)CCl
InChI
InChI=1S/C9H7ClN2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H,5H2
InChIKey
AAUVNJJBLOZTAO-UHFFFAOYSA-N
Compound name
2-(chloromethyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

178.02977 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.037046 132.7
[M+Na]+ 201.018988 143.3
[M-H]- 177.022494 134.4
[M+NH4]+ 196.063593 152.1
[M+K]+ 216.992928 138.5
[M+H-H2O]+ 161.027030 125.7
[M+HCOO]- 223.027971 149.8
[M+CH3COO]- 237.043621 146.2
[M+Na-2H]- 199.004436 143.1
[M]+ 178.02922142 134.6
[M]- 178.03031858 134.6
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