CID 16781169

3-chloro-2-(chloromethyl)-4-phenylquinoline hydrochloride

Structural Information

Molecular Formula
C16H11Cl2N
SMILES
C1=CC=C(C=C1)C2=C(C(=NC3=CC=CC=C32)CCl)Cl
InChI
InChI=1S/C16H11Cl2N/c17-10-14-16(18)15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-14/h1-9H,10H2
InChIKey
MSHDGLLFGFLMMB-UHFFFAOYSA-N
Compound name
3-chloro-2-(chloromethyl)-4-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.02686 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03414 161.2
[M+Na]+ 310.01608 172.3
[M-H]- 286.01958 166.5
[M+NH4]+ 305.06068 178.0
[M+K]+ 325.99002 164.2
[M+H-H2O]+ 270.02412 153.6
[M+HCOO]- 332.02506 173.4
[M+CH3COO]- 346.04071 173.2
[M+Na-2H]- 308.00153 167.7
[M]+ 287.02631 164.7
[M]- 287.02741 164.7
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.