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]+ 179.087816 135.8
[M+Na]+ 201.069758 143.6
[M-H]- 177.073264 135.4
[M+NH4]+ 196.114363 162.6
[M+K]+ 217.043698 142.5
[M+H-H2O]+ 161.077800 131.7
[M+HCOO]- 223.078741 152.3
[M+CH3COO]- 237.094391 175.5
[M+Na-2H]- 199.055206 141.3
[M]+ 178.07999142 132.6
[M]- 178.08108858 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.