CID 24693104

4-chloro-6-fluoroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H4ClFN2
SMILES
C1=CC2=NC=C(C(=C2C=C1F)Cl)C#N
InChI
InChI=1S/C10H4ClFN2/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-3,5H
InChIKey
OKGBGMNVXKHICZ-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.0047 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.011976 138.3
[M+Na]+ 228.993918 152.3
[M-H]- 204.997424 140.0
[M+NH4]+ 224.038523 156.4
[M+K]+ 244.967858 145.1
[M+H-H2O]+ 189.001960 125.5
[M+HCOO]- 251.002901 152.5
[M+CH3COO]- 265.018551 150.6
[M+Na-2H]- 226.979366 145.5
[M]+ 206.00415142 134.6
[M]- 206.00524858 134.6
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

patents stripe