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]+ 207.01198 138.3
[M+Na]+ 228.99392 152.3
[M-H]- 204.99742 140.0
[M+NH4]+ 224.03852 156.4
[M+K]+ 244.96786 145.1
[M+H-H2O]+ 189.00196 125.5
[M+HCOO]- 251.00290 152.5
[M+CH3COO]- 265.01855 150.6
[M+Na-2H]- 226.97937 145.5
[M]+ 206.00415 134.6
[M]- 206.00525 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