CID 72218529

Rac-(1r,2r)-4,4-difluorocyclopentane-1,2-diol

Structural Information

Molecular Formula
C5H8F2O2
SMILES
C1[C@H]([C@@H](CC1(F)F)O)O
InChI
InChI=1S/C5H8F2O2/c6-5(7)1-3(8)4(9)2-5/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
InChIKey
RQJNPJXCMOLSSC-QWWZWVQMSA-N
Compound name
trans-(1R,2R)-4,4-difluorocyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

138.04924 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 122.2
[M+Na]+ 161.03846 131.1
[M-H]- 137.04196 121.0
[M+NH4]+ 156.08306 146.5
[M+K]+ 177.01240 129.2
[M+H-H2O]+ 121.04650 117.6
[M+HCOO]- 183.04744 141.1
[M+CH3COO]- 197.06309 166.2
[M+Na-2H]- 159.02391 126.2
[M]+ 138.04869 116.3
[M]- 138.04979 116.3
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.