CID 145913837

Rac-(3r,4s)-4-(difluoromethyl)oxolan-3-ol

Structural Information

Molecular Formula
C5H8F2O2
SMILES
C1[C@H]([C@@H](CO1)O)C(F)F
InChI
InChI=1S/C5H8F2O2/c6-5(7)3-1-9-2-4(3)8/h3-5,8H,1-2H2/t3-,4-/m1/s1
InChIKey
UUJQLWWQCQBTFS-QWWZWVQMSA-N
Compound name
(3S,4R)-4-(difluoromethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.04924 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 123.6
[M+Na]+ 161.03846 130.8
[M-H]- 137.04196 123.7
[M+NH4]+ 156.08306 144.9
[M+K]+ 177.01240 131.1
[M+H-H2O]+ 121.04650 117.6
[M+HCOO]- 183.04744 142.1
[M+CH3COO]- 197.06309 168.8
[M+Na-2H]- 159.02391 127.1
[M]+ 138.04869 118.8
[M]- 138.04979 118.8
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.