CID 4914634

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

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CN1C2=CC=CC=C2C=C(C1=O)CCl
InChI
InChI=1S/C11H10ClNO/c1-13-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-6H,7H2,1H3
InChIKey
RRBZYQKQFDGOIY-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

207.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.052366 139.5
[M+Na]+ 230.034308 151.5
[M-H]- 206.037814 143.3
[M+NH4]+ 225.078913 159.8
[M+K]+ 246.008248 146.3
[M+H-H2O]+ 190.042350 133.8
[M+HCOO]- 252.043291 157.8
[M+CH3COO]- 266.058941 185.9
[M+Na-2H]- 228.019756 147.4
[M]+ 207.04454142 143.4
[M]- 207.04563858 143.4
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

patents stripe