CID 131099359

Rac-[(1r,2r,3s,4s)-3-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

Structural Information

Molecular Formula
C8H10F2O2
SMILES
C1=C[C@@H]2[C@@H]([C@H]([C@H]1O2)CO)C(F)F
InChI
InChI=1S/C8H10F2O2/c9-8(10)7-4(3-11)5-1-2-6(7)12-5/h1-2,4-8,11H,3H2/t4-,5-,6+,7+/m0/s1
InChIKey
JYSRVQZOLXAUMU-VWDOSNQTSA-N
Compound name
[(1S,2S,3R,4R)-3-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06488 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07216 137.5
[M+Na]+ 199.05410 144.8
[M+NH4]+ 194.09870 144.8
[M+K]+ 215.02804 144.0
[M-H]- 175.05760 135.4
[M+Na-2H]- 197.03955 136.8
[M]+ 176.06433 137.5
[M]- 176.06543 137.5
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.