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]+ 404.13042 193.0
[M+Na]+ 426.11236 199.5
[M-H]- 402.11586 195.3
[M+NH4]+ 421.15696 208.2
[M+K]+ 442.08630 194.9
[M+H-H2O]+ 386.12040 185.6
[M+HCOO]- 448.12134 204.4
[M+CH3COO]- 462.13699 214.9
[M+Na-2H]- 424.09781 192.6
[M]+ 403.12259 191.2
[M]- 403.12369 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.