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]+ 139.056516 123.6
[M+Na]+ 161.038458 130.8
[M-H]- 137.041964 123.7
[M+NH4]+ 156.083063 144.9
[M+K]+ 177.012398 131.1
[M+H-H2O]+ 121.046500 117.6
[M+HCOO]- 183.047441 142.1
[M+CH3COO]- 197.063091 168.8
[M+Na-2H]- 159.023906 127.1
[M]+ 138.04869142 118.8
[M]- 138.04978858 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.