CID 370202

Nsc642946

Structural Information

Molecular Formula
C17H12ClNO
SMILES
CC1=CC2=C(C=CC(=C2)Cl)N=C1C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H12ClNO/c1-11-9-13-10-14(18)7-8-15(13)19-16(11)17(20)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
RPHQNGCQCNXMFW-UHFFFAOYSA-N
Compound name
(6-chloro-3-methylquinolin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.06073 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06801 161.8
[M+Na]+ 304.04995 172.0
[M-H]- 280.05345 168.2
[M+NH4]+ 299.09455 178.2
[M+K]+ 320.02389 165.3
[M+H-H2O]+ 264.05799 153.8
[M+HCOO]- 326.05893 178.3
[M+CH3COO]- 340.07458 174.1
[M+Na-2H]- 302.03540 167.5
[M]+ 281.06018 164.6
[M]- 281.06128 164.6
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

No patent data available for this compound.