CID 778250

2-chloro-7-methoxyquinoline-3-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

218.02469 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe