CID 17039786

948290-59-3

Structural Information

Molecular Formula
C12H11Cl2N
SMILES
CC1=CC(=C2C=C(C(=NC2=C1)Cl)CCl)C
InChI
InChI=1S/C12H11Cl2N/c1-7-3-8(2)10-5-9(6-13)12(14)15-11(10)4-7/h3-5H,6H2,1-2H3
InChIKey
MUOUPNFBZGRTAD-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)-5,7-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]+ 240.034136 147.6
[M+Na]+ 262.016078 160.0
[M-H]- 238.019584 150.6
[M+NH4]+ 257.060683 167.3
[M+K]+ 277.990018 153.5
[M+H-H2O]+ 222.024120 142.5
[M+HCOO]- 284.025061 159.9
[M+CH3COO]- 298.040711 160.9
[M+Na-2H]- 260.001526 153.3
[M]+ 239.02631142 152.4
[M]- 239.02740858 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.