CID 165887331

2580103-53-1

Structural Information

Molecular Formula
C20H18FNO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](C[C@H](C(=O)O)F)C(=O)O
InChI
InChI=1S/C20H18FNO6/c21-16(18(23)24)9-17(19(25)26)22-20(27)28-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17H,9-10H2,(H,22,27)(H,23,24)(H,25,26)/t16-,17+/m1/s1
InChIKey
FRADBSUKYLFNIF-SJORKVTESA-N
Compound name
(2S,4R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-fluoropentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.11182 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11910 186.8
[M+Na]+ 410.10104 190.4
[M-H]- 386.10454 187.6
[M+NH4]+ 405.14564 199.4
[M+K]+ 426.07498 187.8
[M+H-H2O]+ 370.10908 179.4
[M+HCOO]- 432.11002 201.4
[M+CH3COO]- 446.12567 218.2
[M+Na-2H]- 408.08649 185.4
[M]+ 387.11127 187.4
[M]- 387.11237 187.4
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.