CID 309239

Nsc211437

Structural Information

Molecular Formula
C21H12Cl3N
SMILES
C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H12Cl3N/c22-15-7-9-20-17(11-15)16(13-4-2-1-3-5-13)12-21(25-20)14-6-8-18(23)19(24)10-14/h1-12H
InChIKey
PSNFFIQQEQBZGF-UHFFFAOYSA-N
Compound name
6-chloro-2-(3,4-dichlorophenyl)-4-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.00354 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.01082 185.4
[M+Na]+ 405.99276 197.2
[M-H]- 381.99626 192.3
[M+NH4]+ 401.03736 198.2
[M+K]+ 421.96670 187.6
[M+H-H2O]+ 366.00080 176.2
[M+HCOO]- 428.00174 191.5
[M+CH3COO]- 442.01739 195.3
[M+Na-2H]- 403.97821 188.6
[M]+ 383.00299 189.5
[M]- 383.00409 189.5
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.