CID 20767657

3,3-difluoro-2,2-dimethylpropanenitrile

Structural Information

Molecular Formula
C5H7F2N
SMILES
CC(C)(C#N)C(F)F
InChI
InChI=1S/C5H7F2N/c1-5(2,3-8)4(6)7/h4H,1-2H3
InChIKey
KCKYBQZUHPXLRY-UHFFFAOYSA-N
Compound name
3,3-difluoro-2,2-dimethylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

119.05466 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06194 118.8
[M+Na]+ 142.04388 128.2
[M-H]- 118.04738 117.6
[M+NH4]+ 137.08848 139.1
[M+K]+ 158.01782 128.2
[M+H-H2O]+ 102.05192 107.0
[M+HCOO]- 164.05286 135.4
[M+CH3COO]- 178.06851 185.4
[M+Na-2H]- 140.02933 124.7
[M]+ 119.05411 111.4
[M]- 119.05521 111.4
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