CID 17039788

182052-67-1

Structural Information

Molecular Formula
C12H11Cl2N
SMILES
CC1=CC2=CC(=C(N=C2C=C1C)Cl)CCl
InChI
InChI=1S/C12H11Cl2N/c1-7-3-9-5-10(6-13)12(14)15-11(9)4-8(7)2/h3-5H,6H2,1-2H3
InChIKey
CCUOWAKNYKHISD-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)-6,7-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.02686 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03414 147.6
[M+Na]+ 262.01608 160.0
[M-H]- 238.01958 150.6
[M+NH4]+ 257.06068 167.3
[M+K]+ 277.99002 153.5
[M+H-H2O]+ 222.02412 142.5
[M+HCOO]- 284.02506 159.9
[M+CH3COO]- 298.04071 160.9
[M+Na-2H]- 260.00153 153.3
[M]+ 239.02631 152.4
[M]- 239.02741 152.4
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.