CID 79419670

1690112-93-6

Structural Information

Molecular Formula
C6H11F2NO2
SMILES
C1[C@H]([C@H](CN1CC(F)F)O)O
InChI
InChI=1S/C6H11F2NO2/c7-6(8)3-9-1-4(10)5(11)2-9/h4-6,10-11H,1-3H2/t4-,5+
InChIKey
VCHJFTHAYVVEPI-SYDPRGILSA-N
Compound name
(3R,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.07579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08307 132.5
[M+Na]+ 190.06501 139.7
[M-H]- 166.06851 129.3
[M+NH4]+ 185.10961 152.2
[M+K]+ 206.03895 137.9
[M+H-H2O]+ 150.07305 125.5
[M+HCOO]- 212.07399 148.8
[M+CH3COO]- 226.08964 173.1
[M+Na-2H]- 188.05046 133.1
[M]+ 167.07524 126.4
[M]- 167.07634 126.4
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.