CID 19860690

108781-54-0

Structural Information

Molecular Formula
C4H7F2N
SMILES
C=CC(CN)(F)F
InChI
InChI=1S/C4H7F2N/c1-2-4(5,6)3-7/h2H,1,3,7H2
InChIKey
VIYCJCHKWYIHBE-UHFFFAOYSA-N
Compound name
2,2-difluorobut-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

107.05466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.061936 117.3
[M+Na]+ 130.043878 125.2
[M-H]- 106.047384 114.8
[M+NH4]+ 125.088483 139.7
[M+K]+ 146.017818 124.1
[M+H-H2O]+ 90.051920 111.8
[M+HCOO]- 152.052861 138.6
[M+CH3COO]- 166.068511 170.0
[M+Na-2H]- 128.029326 124.0
[M]+ 107.05411142 112.2
[M]- 107.05520858 112.2
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