CID 16211000

Fmoc-sar-opfp

Structural Information

Molecular Formula
C24H16F5NO4
SMILES
CN(CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H16F5NO4/c1-30(10-17(31)34-23-21(28)19(26)18(25)20(27)22(23)29)24(32)33-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3
InChIKey
PJYXJFOLTCMMLK-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

477.09995 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.10723 210.3
[M+Na]+ 500.08917 220.2
[M-H]- 476.09267 214.5
[M+NH4]+ 495.13377 222.4
[M+K]+ 516.06311 214.8
[M+H-H2O]+ 460.09721 197.4
[M+HCOO]- 522.09815 226.2
[M+CH3COO]- 536.11380 243.3
[M+Na-2H]- 498.07462 205.9
[M]+ 477.09940 211.7
[M]- 477.10050 211.7
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