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]+ 120.061936 118.8
[M+Na]+ 142.043878 128.2
[M-H]- 118.047384 117.6
[M+NH4]+ 137.088483 139.1
[M+K]+ 158.017818 128.2
[M+H-H2O]+ 102.051920 107.0
[M+HCOO]- 164.052861 135.4
[M+CH3COO]- 178.068511 185.4
[M+Na-2H]- 140.029326 124.7
[M]+ 119.05411142 111.4
[M]- 119.05520858 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