CID 509488

Pyrrolo[1,2-a]quinoxaline, 4-(chloromethyl)-

Structural Information

Molecular Formula
C12H9ClN2
SMILES
C1=CC=C2C(=C1)N=C(C3=CC=CN23)CCl
InChI
InChI=1S/C12H9ClN2/c13-8-10-12-6-3-7-15(12)11-5-2-1-4-9(11)14-10/h1-7H,8H2
InChIKey
OUFQWKAFHVGEDK-UHFFFAOYSA-N
Compound name
4-(chloromethyl)pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.04543 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05271 143.7
[M+Na]+ 239.03465 156.4
[M-H]- 215.03815 147.0
[M+NH4]+ 234.07925 164.8
[M+K]+ 255.00859 150.1
[M+H-H2O]+ 199.04269 136.6
[M+HCOO]- 261.04363 161.9
[M+CH3COO]- 275.05928 157.7
[M+Na-2H]- 237.02010 152.6
[M]+ 216.04488 148.2
[M]- 216.04598 148.2
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

No patent data available for this compound.