CID 14855882

4,4-difluorobut-3-en-1-ol

Structural Information

Molecular Formula
C4H6F2O
SMILES
C(CO)C=C(F)F
InChI
InChI=1S/C4H6F2O/c5-4(6)2-1-3-7/h2,7H,1,3H2
InChIKey
ZCSILCHJOKWNLB-UHFFFAOYSA-N
Compound name
4,4-difluorobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

108.03867 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.045946 117.0
[M+Na]+ 131.027888 124.8
[M-H]- 107.031394 113.5
[M+NH4]+ 126.072493 139.2
[M+K]+ 147.001828 123.7
[M+H-H2O]+ 91.035930 111.4
[M+HCOO]- 153.036871 137.3
[M+CH3COO]- 167.052521 165.1
[M+Na-2H]- 129.013336 122.3
[M]+ 108.03812142 113.1
[M]- 108.03921858 113.1
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