CID 155821782

2503206-15-1

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1C2(CC1(OC2)CO)C(F)F
InChI
InChI=1S/C7H10F2O2/c8-5(9)6-1-7(2-6,3-10)11-4-6/h5,10H,1-4H2
InChIKey
KWDBLXXCLUTJSH-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 138.6
[M+Na]+ 187.054098 145.6
[M-H]- 163.057604 137.2
[M+NH4]+ 182.098703 161.6
[M+K]+ 203.028038 147.0
[M+H-H2O]+ 147.062140 132.1
[M+HCOO]- 209.063081 152.5
[M+CH3COO]- 223.078731 179.5
[M+Na-2H]- 185.039546 146.5
[M]+ 164.06433142 149.1
[M]- 164.06542858 149.1
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.