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

16
Patents

207.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 139.5
[M+Na]+ 230.03431 151.5
[M-H]- 206.03781 143.3
[M+NH4]+ 225.07891 159.8
[M+K]+ 246.00825 146.3
[M+H-H2O]+ 190.04235 133.8
[M+HCOO]- 252.04329 157.8
[M+CH3COO]- 266.05894 185.9
[M+Na-2H]- 228.01976 147.4
[M]+ 207.04454 143.4
[M]- 207.04564 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