CID 22466763

4-chloro-6-methoxy-quinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H7ClN2O
SMILES
COC1=CC2=C(C(=CN=C2C=C1)C#N)Cl
InChI
InChI=1S/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3
InChIKey
VIKNILFXAQPQEF-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxyquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

218.02469 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.031966 144.2
[M+Na]+ 241.013908 157.7
[M-H]- 217.017414 147.0
[M+NH4]+ 236.058513 161.8
[M+K]+ 256.987848 151.2
[M+H-H2O]+ 201.021950 131.9
[M+HCOO]- 263.022891 159.1
[M+CH3COO]- 277.038541 156.4
[M+Na-2H]- 238.999356 151.3
[M]+ 218.02414142 143.0
[M]- 218.02523858 143.0
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

patents stripe