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
2
Annotation Hits

0
References

227
Patents

253.08696 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.094236 155.2
[M+Na]+ 276.076178 162.6
[M-H]- 252.079684 156.0
[M+NH4]+ 271.120783 172.2
[M+K]+ 292.050118 157.0
[M+H-H2O]+ 236.084220 148.8
[M+HCOO]- 298.085161 168.6
[M+CH3COO]- 312.100811 190.8
[M+Na-2H]- 274.061626 160.2
[M]+ 253.08641142 156.0
[M]- 253.08750858 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