CID 14049932

2,2-difluoropent-4-en-1-ol

Structural Information

Molecular Formula
C5H8F2O
SMILES
C=CCC(CO)(F)F
InChI
InChI=1S/C5H8F2O/c1-2-3-5(6,7)4-8/h2,8H,1,3-4H2
InChIKey
RGUVXNXQTXWMTK-UHFFFAOYSA-N
Compound name
2,2-difluoropent-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

122.05432 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 121.1
[M+Na]+ 145.043538 129.1
[M-H]- 121.047044 117.7
[M+NH4]+ 140.088143 142.9
[M+K]+ 161.017478 127.7
[M+H-H2O]+ 105.051580 116.0
[M+HCOO]- 167.052521 140.5
[M+CH3COO]- 181.068171 168.3
[M+Na-2H]- 143.028986 127.7
[M]+ 122.05377142 117.9
[M]- 122.05486858 117.9
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