CID 24694070

4-chloro-6-(difluoromethoxy)quinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H5ClF2N2O
SMILES
C1=CC2=NC=C(C(=C2C=C1OC(F)F)Cl)C#N
InChI
InChI=1S/C11H5ClF2N2O/c12-10-6(4-15)5-16-9-2-1-7(3-8(9)10)17-11(13)14/h1-3,5,11H
InChIKey
PPVQLMSNIVNXMO-UHFFFAOYSA-N
Compound name
4-chloro-6-(difluoromethoxy)quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00584 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01312 145.9
[M+Na]+ 276.99506 159.0
[M-H]- 252.99856 146.1
[M+NH4]+ 272.03966 161.9
[M+K]+ 292.96900 152.3
[M+H-H2O]+ 237.00310 131.9
[M+HCOO]- 299.00404 158.2
[M+CH3COO]- 313.01969 204.9
[M+Na-2H]- 274.98051 151.1
[M]+ 254.00529 142.3
[M]- 254.00639 142.3
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.