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

5
Patents

190.03426 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.041536 133.8
[M+Na]+ 213.023478 146.8
[M-H]- 189.026984 134.3
[M+NH4]+ 208.068083 151.4
[M+K]+ 228.997418 141.0
[M+H-H2O]+ 173.031520 119.3
[M+HCOO]- 235.032461 151.1
[M+CH3COO]- 249.048111 145.9
[M+Na-2H]- 211.008926 140.8
[M]+ 190.03371142 127.1
[M]- 190.03480858 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