CID 17039811

2-chloro-6-fluoroquinoline-3-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.0047 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01198 140.0
[M+Na]+ 228.99392 155.3
[M+NH4]+ 224.03852 145.9
[M+K]+ 244.96786 143.8
[M-H]- 204.99742 134.5
[M+Na-2H]- 226.97937 145.2
[M]+ 206.00415 140.2
[M]- 206.00525 140.2
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