CID 207815

Quinoline, 1,2-dihydro-1-(p-chlorobenzoyl)-

Structural Information

Molecular Formula
C16H12ClNO
SMILES
C1C=CC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNO/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-10H,11H2
InChIKey
GPVHXPLPRPJTMZ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(2H-quinolin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06073 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06801 158.6
[M+Na]+ 292.04995 167.4
[M-H]- 268.05345 164.5
[M+NH4]+ 287.09455 175.3
[M+K]+ 308.02389 161.1
[M+H-H2O]+ 252.05799 150.6
[M+HCOO]- 314.05893 174.1
[M+CH3COO]- 328.07458 170.5
[M+Na-2H]- 290.03540 164.6
[M]+ 269.06018 159.1
[M]- 269.06128 159.1
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