CID 137935274

2253639-72-2

Structural Information

Molecular Formula
C21H19F2NO4
SMILES
CC1(CC(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(F)F)C(=O)O
InChI
InChI=1S/C21H19F2NO4/c1-20(18(25)26)11-21(22,23)12-24(20)19(27)28-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,25,26)
InChIKey
QAKOCYXZKNUROK-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-difluoro-2-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1282 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13548 189.8
[M+Na]+ 410.11742 198.8
[M-H]- 386.12092 193.8
[M+NH4]+ 405.16202 208.8
[M+K]+ 426.09136 193.4
[M+H-H2O]+ 370.12546 181.8
[M+HCOO]- 432.12640 204.1
[M+CH3COO]- 446.14205 215.4
[M+Na-2H]- 408.10287 188.6
[M]+ 387.12765 189.6
[M]- 387.12875 189.6
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.