CID 476606

Chloromethyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC=C2C(=C1)C=CC(N2C(=O)OCCl)C#N
InChI
InChI=1S/C12H9ClN2O2/c13-8-17-12(16)15-10(7-14)6-5-9-3-1-2-4-11(9)15/h1-6,10H,8H2
InChIKey
ADJGVFYBGGSJAY-UHFFFAOYSA-N
Compound name
chloromethyl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.03525 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 152.3
[M+Na]+ 271.02447 163.8
[M-H]- 247.02797 154.5
[M+NH4]+ 266.06907 168.4
[M+K]+ 286.99841 157.5
[M+H-H2O]+ 231.03251 139.6
[M+HCOO]- 293.03345 165.2
[M+CH3COO]- 307.04910 201.9
[M+Na-2H]- 269.00992 157.6
[M]+ 248.03470 149.8
[M]- 248.03580 149.8
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

No patent data available for this compound.