CID 122163795

2-(2,2-difluoro-1-methylcyclopropyl)acetonitrile

Structural Information

Molecular Formula
C6H7F2N
SMILES
CC1(CC1(F)F)CC#N
InChI
InChI=1S/C6H7F2N/c1-5(2-3-9)4-6(5,7)8/h2,4H2,1H3
InChIKey
RQNVEQHQXFNONY-UHFFFAOYSA-N
Compound name
2-(2,2-difluoro-1-methylcyclopropyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.05466 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06194 114.4
[M+Na]+ 154.04388 131.6
[M-H]- 130.04738 119.7
[M+NH4]+ 149.08848 135.3
[M+K]+ 170.01782 127.1
[M+H-H2O]+ 114.05192 106.3
[M+HCOO]- 176.05286 134.7
[M+CH3COO]- 190.06851 189.0
[M+Na-2H]- 152.02933 124.5
[M]+ 131.05411 112.9
[M]- 131.05521 112.9
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.