CID 150546008

2,2-difluorohex-5-en-1-ol

Structural Information

Molecular Formula
C6H10F2O
SMILES
C=CCCC(CO)(F)F
InChI
InChI=1S/C6H10F2O/c1-2-3-4-6(7,8)5-9/h2,9H,1,3-5H2
InChIKey
IGWPITMBQDNTMT-UHFFFAOYSA-N
Compound name
2,2-difluorohex-5-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06998 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.077256 125.8
[M+Na]+ 159.059198 133.4
[M-H]- 135.062704 122.2
[M+NH4]+ 154.103803 147.0
[M+K]+ 175.033138 131.7
[M+H-H2O]+ 119.067240 120.4
[M+HCOO]- 181.068181 144.9
[M+CH3COO]- 195.083831 171.4
[M+Na-2H]- 157.044646 131.9
[M]+ 136.06943142 122.9
[M]- 136.07052858 122.9
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

No patent data available for this compound.