CID 13342169

3-(chloromethyl)-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C10H8ClNO
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)CCl
InChI
InChI=1S/C10H8ClNO/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5H,6H2,(H,12,13)
InChIKey
KLQZGMXIVAVSIE-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

193.02943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 135.5
[M+Na]+ 216.01865 146.5
[M-H]- 192.02215 137.7
[M+NH4]+ 211.06325 155.3
[M+K]+ 231.99259 140.6
[M+H-H2O]+ 176.02669 130.1
[M+HCOO]- 238.02763 152.6
[M+CH3COO]- 252.04328 149.1
[M+Na-2H]- 214.00410 144.2
[M]+ 193.02888 136.7
[M]- 193.02998 136.7
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