CID 17039678

2,7-dichloro-8-methylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H6Cl2N2
SMILES
CC1=C(C=CC2=CC(=C(N=C12)Cl)C#N)Cl
InChI
InChI=1S/C11H6Cl2N2/c1-6-9(12)3-2-7-4-8(5-14)11(13)15-10(6)7/h2-4H,1H3
InChIKey
JTQXUNOKCQNFDL-UHFFFAOYSA-N
Compound name
2,7-dichloro-8-methylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9908 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99808 147.7
[M+Na]+ 258.98002 162.5
[M-H]- 234.98352 150.2
[M+NH4]+ 254.02462 165.4
[M+K]+ 274.95396 154.3
[M+H-H2O]+ 218.98806 136.5
[M+HCOO]- 280.98900 157.8
[M+CH3COO]- 295.00465 159.6
[M+Na-2H]- 256.96547 153.3
[M]+ 235.99025 146.6
[M]- 235.99135 146.6
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.