CID 3271608

2-chloro-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one

Structural Information

Molecular Formula
C12H14ClNO
SMILES
CC(C(=O)N1CCCC2=CC=CC=C21)Cl
InChI
InChI=1S/C12H14ClNO/c1-9(13)12(15)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7,9H,4,6,8H2,1H3
InChIKey
HGZBRNUARKFHGK-UHFFFAOYSA-N
Compound name
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

223.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.083666 147.4
[M+Na]+ 246.065608 154.4
[M-H]- 222.069114 149.7
[M+NH4]+ 241.110213 166.1
[M+K]+ 262.039548 150.3
[M+H-H2O]+ 206.073650 141.2
[M+HCOO]- 268.074591 160.5
[M+CH3COO]- 282.090241 188.2
[M+Na-2H]- 244.051056 151.7
[M]+ 223.07584142 146.6
[M]- 223.07693858 146.6
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