CID 10467467

7-(4-chlorobutoxy)-3,4-dihydro-2(1h)-quinolinone

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCCCl
InChI
InChI=1S/C13H16ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)
InChIKey
SRMLSNBGMDJSJH-UHFFFAOYSA-N
Compound name
7-(4-chlorobutoxy)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

253.08696 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 155.2
[M+Na]+ 276.07618 162.6
[M-H]- 252.07968 156.0
[M+NH4]+ 271.12078 172.2
[M+K]+ 292.05012 157.0
[M+H-H2O]+ 236.08422 148.8
[M+HCOO]- 298.08516 168.6
[M+CH3COO]- 312.10081 190.8
[M+Na-2H]- 274.06163 160.2
[M]+ 253.08641 156.0
[M]- 253.08751 156.0
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