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
(1R,2R)-4,4-difluorocyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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

literature stripe

Patent stripe

patents stripe