CID 53439521

3,3-difluoroprop-2-en-1-ol

Structural Information

Molecular Formula
C3H4F2O
SMILES
C(C=C(F)F)O
InChI
InChI=1S/C3H4F2O/c4-3(5)1-2-6/h1,6H,2H2
InChIKey
GUWIZLFGIILDAL-UHFFFAOYSA-N
Compound name
3,3-difluoroprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

94.02302 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.030296 112.3
[M+Na]+ 117.01224 120.5
[M-H]- 93.015744 109.0
[M+NH4]+ 112.05684 135.0
[M+K]+ 132.98618 119.7
[M+H-H2O]+ 77.020280 106.9
[M+HCOO]- 139.02122 132.9
[M+CH3COO]- 153.03687 162.1
[M+Na-2H]- 114.99769 118.1
[M]+ 94.022471 108.0
[M]- 94.023569 108.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe