CID 23582969

4,4-difluorocyclohexanecarbonitrile

Structural Information

Molecular Formula
C7H9F2N
SMILES
C1CC(CCC1C#N)(F)F
InChI
InChI=1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-4H2
InChIKey
IZGJQRIMRGAMTH-UHFFFAOYSA-N
Compound name
4,4-difluorocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

145.07031 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07759 122.8
[M+Na]+ 168.05953 132.4
[M-H]- 144.06303 124.0
[M+NH4]+ 163.10413 144.0
[M+K]+ 184.03347 129.3
[M+H-H2O]+ 128.06757 110.7
[M+HCOO]- 190.06851 138.9
[M+CH3COO]- 204.08416 186.8
[M+Na-2H]- 166.04498 128.7
[M]+ 145.06976 111.9
[M]- 145.07086 111.9
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