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

16
Patents

107.05466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.06194 117.3
[M+Na]+ 130.04388 125.2
[M-H]- 106.04738 114.8
[M+NH4]+ 125.08848 139.7
[M+K]+ 146.01782 124.1
[M+H-H2O]+ 90.051920 111.8
[M+HCOO]- 152.05286 138.6
[M+CH3COO]- 166.06851 170.0
[M+Na-2H]- 128.02933 124.0
[M]+ 107.05411 112.2
[M]- 107.05521 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