CID 79004059

2,2-difluoro-1-(furan-2-yl)ethanol

Structural Information

Molecular Formula
C6H6F2O2
SMILES
C1=COC(=C1)C(C(F)F)O
InChI
InChI=1S/C6H6F2O2/c7-6(8)5(9)4-2-1-3-10-4/h1-3,5-6,9H
InChIKey
DJZTTYPDUPOJHY-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(furan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.03358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04086 125.2
[M+Na]+ 171.02280 132.9
[M-H]- 147.02630 125.7
[M+NH4]+ 166.06740 146.0
[M+K]+ 186.99674 133.0
[M+H-H2O]+ 131.03084 118.7
[M+HCOO]- 193.03178 145.4
[M+CH3COO]- 207.04743 170.9
[M+Na-2H]- 169.00825 129.6
[M]+ 148.03303 122.7
[M]- 148.03413 122.7
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.