CID 227602

4,7-dichloro-2,8-dimethylquinoline

Structural Information

Molecular Formula
C11H9Cl2N
SMILES
CC1=CC(=C2C=CC(=C(C2=N1)C)Cl)Cl
InChI
InChI=1S/C11H9Cl2N/c1-6-5-10(13)8-3-4-9(12)7(2)11(8)14-6/h3-5H,1-2H3
InChIKey
FGFQQASKLBXKQZ-UHFFFAOYSA-N
Compound name
4,7-dichloro-2,8-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 142.9
[M+Na]+ 248.00042 155.7
[M-H]- 224.00392 146.1
[M+NH4]+ 243.04502 163.1
[M+K]+ 263.97436 149.4
[M+H-H2O]+ 208.00846 138.0
[M+HCOO]- 270.00940 155.5
[M+CH3COO]- 284.02505 156.6
[M+Na-2H]- 245.98587 149.2
[M]+ 225.01065 147.3
[M]- 225.01175 147.3
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.