CID 24704259

4,6-dichloro-8-fluoroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H3Cl2FN2
SMILES
C1=C(C=C(C2=NC=C(C(=C21)Cl)C#N)F)Cl
InChI
InChI=1S/C10H3Cl2FN2/c11-6-1-7-9(12)5(3-14)4-15-10(7)8(13)2-6/h1-2,4H
InChIKey
CCWYVOHHAUBIKY-UHFFFAOYSA-N
Compound name
4,6-dichloro-8-fluoroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.96573 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.97301 143.7
[M+Na]+ 262.95495 158.9
[M-H]- 238.95845 145.0
[M+NH4]+ 257.99955 161.1
[M+K]+ 278.92889 150.6
[M+H-H2O]+ 222.96299 131.8
[M+HCOO]- 284.96393 153.3
[M+CH3COO]- 298.97958 155.6
[M+Na-2H]- 260.94040 149.4
[M]+ 239.96518 141.4
[M]- 239.96628 141.4
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.