CID 16227198

57368-84-0

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
COC1=CC2=C(C=C1)N(CCC2)C(=O)CCl
InChI
InChI=1S/C12H14ClNO2/c1-16-10-4-5-11-9(7-10)3-2-6-14(11)12(15)8-13/h4-5,7H,2-3,6,8H2,1H3
InChIKey
XJPUWRWIBSSPSL-UHFFFAOYSA-N
Compound name
2-chloro-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

239.0713 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 150.3
[M+Na]+ 262.06052 158.5
[M-H]- 238.06402 153.0
[M+NH4]+ 257.10512 168.7
[M+K]+ 278.03446 154.5
[M+H-H2O]+ 222.06856 144.1
[M+HCOO]- 284.06950 164.6
[M+CH3COO]- 298.08515 190.5
[M+Na-2H]- 260.04597 155.2
[M]+ 239.07075 152.0
[M]- 239.07185 152.0
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