CID 121217725

4,8-dichloro-2,7-dimethylquinoline

Structural Information

Molecular Formula
C11H9Cl2N
SMILES
CC1=C(C2=NC(=CC(=C2C=C1)Cl)C)Cl
InChI
InChI=1S/C11H9Cl2N/c1-6-3-4-8-9(12)5-7(2)14-11(8)10(6)13/h3-5H,1-2H3
InChIKey
IOLYOWOVBMQQNY-UHFFFAOYSA-N
Compound name
4,8-dichloro-2,7-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0112 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.01848 143.3
[M+Na]+ 248.00042 161.5
[M+NH4]+ 243.04502 154.1
[M+K]+ 263.97436 151.8
[M-H]- 224.00392 147.2
[M+Na-2H]- 245.98587 151.9
[M]+ 225.01065 148.0
[M]- 225.01175 148.0
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.