CID 4249503

7-chloro-2-(4-chlorophenyl)-6-methylquinoline-4-carbonyl chloride

Structural Information

Molecular Formula
C17H10Cl3NO
SMILES
CC1=CC2=C(C=C1Cl)N=C(C=C2C(=O)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H10Cl3NO/c1-9-6-12-13(17(20)22)7-15(21-16(12)8-14(9)19)10-2-4-11(18)5-3-10/h2-8H,1H3
InChIKey
QBXRHAPYOUSCES-UHFFFAOYSA-N
Compound name
7-chloro-2-(4-chlorophenyl)-6-methylquinoline-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.9828 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.99008 172.2
[M+Na]+ 371.97202 184.3
[M-H]- 347.97552 176.9
[M+NH4]+ 367.01662 186.9
[M+K]+ 387.94596 176.4
[M+H-H2O]+ 331.98006 165.5
[M+HCOO]- 393.98100 178.1
[M+CH3COO]- 407.99665 183.1
[M+Na-2H]- 369.95747 174.7
[M]+ 348.98225 177.4
[M]- 348.98335 177.4
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.