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

47
Patents

218.02469 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03197 144.2
[M+Na]+ 241.01391 157.7
[M-H]- 217.01741 147.0
[M+NH4]+ 236.05851 161.8
[M+K]+ 256.98785 151.2
[M+H-H2O]+ 201.02195 131.9
[M+HCOO]- 263.02289 159.1
[M+CH3COO]- 277.03854 156.4
[M+Na-2H]- 238.99936 151.3
[M]+ 218.02414 143.0
[M]- 218.02524 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