CID 89539071

4,4-difluoropyrrolidin-3-ol

Structural Information

Molecular Formula
C4H7F2NO
SMILES
C1C(C(CN1)(F)F)O
InChI
InChI=1S/C4H7F2NO/c5-4(6)2-7-1-3(4)8/h3,7-8H,1-2H2
InChIKey
BYLFAFMPLXFJDF-UHFFFAOYSA-N
Compound name
4,4-difluoropyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

123.04957 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05685 119.6
[M+Na]+ 146.03879 128.0
[M-H]- 122.04229 116.7
[M+NH4]+ 141.08339 142.9
[M+K]+ 162.01273 126.0
[M+H-H2O]+ 106.04683 113.7
[M+HCOO]- 168.04777 137.4
[M+CH3COO]- 182.06342 162.6
[M+Na-2H]- 144.02424 124.5
[M]+ 123.04902 112.0
[M]- 123.05012 112.0
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

patents stripe