CID 137951400

2219408-67-8

Structural Information

Molecular Formula
C21H19F2NO5
SMILES
C1CN(CC1(C(C(=O)O)(F)F)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19F2NO5/c22-21(23,18(25)26)20(28)9-10-24(12-20)19(27)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17,28H,9-12H2,(H,25,26)
InChIKey
MUOKJUAVNHWOAU-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxypyrrolidin-3-yl]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.12314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.130416 193.0
[M+Na]+ 426.112358 199.5
[M-H]- 402.115864 195.3
[M+NH4]+ 421.156963 208.2
[M+K]+ 442.086298 194.9
[M+H-H2O]+ 386.120400 185.6
[M+HCOO]- 448.121341 204.4
[M+CH3COO]- 462.136991 214.9
[M+Na-2H]- 424.097806 192.6
[M]+ 403.12259142 191.2
[M]- 403.12368858 191.2
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.