CID 19003896

3-(chloromethyl)-6-methoxy-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=CC2=C(C=C1)NC(=O)C(=C2)CCl
InChI
InChI=1S/C11H10ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5H,6H2,1H3,(H,13,14)
InChIKey
MLZLCZURKBOLMM-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-6-methoxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.04001 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 143.0
[M+Na]+ 246.029228 154.4
[M-H]- 222.032734 145.5
[M+NH4]+ 241.073833 161.9
[M+K]+ 262.003168 149.0
[M+H-H2O]+ 206.037270 137.5
[M+HCOO]- 268.038211 160.1
[M+CH3COO]- 282.053861 185.4
[M+Na-2H]- 244.014676 150.5
[M]+ 223.03946142 146.5
[M]- 223.04055858 146.5
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