CID 155858552

[4-(difluoromethyl)-2-oxabicyclo[2.2.1]heptan-1-yl]methanol

Structural Information

Molecular Formula
C8H12F2O2
SMILES
C1CC2(CC1(CO2)C(F)F)CO
InChI
InChI=1S/C8H12F2O2/c9-6(10)7-1-2-8(3-7,4-11)12-5-7/h6,11H,1-5H2
InChIKey
IZDSAMPSNMIAEB-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-2-oxabicyclo[2.2.1]heptan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08054 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 135.8
[M+Na]+ 201.06976 143.6
[M-H]- 177.07326 135.4
[M+NH4]+ 196.11436 162.6
[M+K]+ 217.04370 142.5
[M+H-H2O]+ 161.07780 131.7
[M+HCOO]- 223.07874 152.3
[M+CH3COO]- 237.09439 175.5
[M+Na-2H]- 199.05521 141.3
[M]+ 178.07999 132.6
[M]- 178.08109 132.6
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.