CID 165983559

2-{[1-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxy}acetyl chloride

Structural Information

Molecular Formula
C13H13Cl2NO3
SMILES
C1CC2=C(C=CC(=C2)OCC(=O)Cl)N(C1)C(=O)CCl
InChI
InChI=1S/C13H13Cl2NO3/c14-7-13(18)16-5-1-2-9-6-10(3-4-11(9)16)19-8-12(15)17/h3-4,6H,1-2,5,7-8H2
InChIKey
OJTWHOFMAJFUGJ-UHFFFAOYSA-N
Compound name
2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.02725 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03453 160.7
[M+Na]+ 324.01647 168.6
[M-H]- 300.01997 162.6
[M+NH4]+ 319.06107 176.8
[M+K]+ 339.99041 163.7
[M+H-H2O]+ 284.02451 155.1
[M+HCOO]- 346.02545 169.1
[M+CH3COO]- 360.04110 200.1
[M+Na-2H]- 322.00192 163.4
[M]+ 301.02670 164.1
[M]- 301.02780 164.1
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.