CID 599544

1-(2,4-dichlorobenzoyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C16H13Cl2NO
SMILES
C1CC2=CC=CC=C2N(C1)C(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2NO/c17-12-7-8-13(14(18)10-12)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2
InChIKey
ZJHFAQJNPFTPQQ-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

305.0374 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04468 165.6
[M+Na]+ 328.02662 174.6
[M-H]- 304.03012 170.5
[M+NH4]+ 323.07122 181.4
[M+K]+ 344.00056 167.5
[M+H-H2O]+ 288.03466 158.3
[M+HCOO]- 350.03560 174.5
[M+CH3COO]- 364.05125 176.4
[M+Na-2H]- 326.01207 169.0
[M]+ 305.03685 166.4
[M]- 305.03795 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.