CID 146049426

2,2-difluorobicyclo[3.1.0]hexane-6-carbonitrile

Structural Information

Molecular Formula
C7H7F2N
SMILES
C1CC(C2C1C2C#N)(F)F
InChI
InChI=1S/C7H7F2N/c8-7(9)2-1-4-5(3-10)6(4)7/h4-6H,1-2H2
InChIKey
JYJOUEQLEMNQBW-UHFFFAOYSA-N
Compound name
2,2-difluorobicyclo[3.1.0]hexane-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05466 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06194 118.0
[M+Na]+ 166.04388 135.8
[M-H]- 142.04738 123.1
[M+NH4]+ 161.08848 139.2
[M+K]+ 182.01782 128.3
[M+H-H2O]+ 126.05192 109.0
[M+HCOO]- 188.05286 137.2
[M+CH3COO]- 202.06851 190.7
[M+Na-2H]- 164.02933 125.8
[M]+ 143.05411 114.9
[M]- 143.05521 114.9
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

No patent data available for this compound.