CID 66637805

6,8-difluoroquinoline-4-carbonitrile

Structural Information

Molecular Formula
C10H4F2N2
SMILES
C1=CN=C2C(=CC(=CC2=C1C#N)F)F
InChI
InChI=1S/C10H4F2N2/c11-7-3-8-6(5-13)1-2-14-10(8)9(12)4-7/h1-4H
InChIKey
OKPAUHYDNGFCRW-UHFFFAOYSA-N
Compound name
6,8-difluoroquinoline-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.03426 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04154 133.8
[M+Na]+ 213.02348 146.8
[M-H]- 189.02698 134.3
[M+NH4]+ 208.06808 151.4
[M+K]+ 228.99742 141.0
[M+H-H2O]+ 173.03152 119.3
[M+HCOO]- 235.03246 151.1
[M+CH3COO]- 249.04811 145.9
[M+Na-2H]- 211.00893 140.8
[M]+ 190.03371 127.1
[M]- 190.03481 127.1
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