CID 165771105

1428630-39-0

Structural Information

Molecular Formula
C23H26F2NO7P
SMILES
CCOP(=O)(C(C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)(F)F)OCC
InChI
InChI=1S/C23H26F2NO7P/c1-3-32-34(30,33-4-2)23(24,25)13-20(21(27)28)26-22(29)31-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,3-4,13-14H2,1-2H3,(H,26,29)(H,27,28)/t20-/m0/s1
InChIKey
SVIJKUUVTWVGNC-FQEVSTJZSA-N
Compound name
(2S)-4-diethoxyphosphoryl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.1415 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.14878 215.7
[M+Na]+ 520.13072 218.2
[M-H]- 496.13422 214.8
[M+NH4]+ 515.17532 225.0
[M+K]+ 536.10466 216.8
[M+H-H2O]+ 480.13876 204.9
[M+HCOO]- 542.13970 233.4
[M+CH3COO]- 556.15535 239.5
[M+Na-2H]- 518.11617 214.8
[M]+ 497.14095 220.2
[M]- 497.14205 220.2
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.