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

3
Patents

223.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 147.4
[M+Na]+ 246.06561 154.4
[M-H]- 222.06911 149.7
[M+NH4]+ 241.11021 166.1
[M+K]+ 262.03955 150.3
[M+H-H2O]+ 206.07365 141.2
[M+HCOO]- 268.07459 160.5
[M+CH3COO]- 282.09024 188.2
[M+Na-2H]- 244.05106 151.7
[M]+ 223.07584 146.6
[M]- 223.07694 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