CID 165605372

2349898-12-8

Structural Information

Molecular Formula
C20H19F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC(F)F)C(=O)O
InChI
InChI=1S/C20H19F2NO4/c21-18(22)10-9-17(19(24)25)23-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-18H,9-11H2,(H,23,26)(H,24,25)/t17-/m0/s1
InChIKey
UROOLSPCRUFBPT-KRWDZBQOSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-difluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1282 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.135476 186.4
[M+Na]+ 398.117418 191.1
[M-H]- 374.120924 187.1
[M+NH4]+ 393.162023 200.6
[M+K]+ 414.091358 187.0
[M+H-H2O]+ 358.125460 177.7
[M+HCOO]- 420.126401 202.0
[M+CH3COO]- 434.142051 218.3
[M+Na-2H]- 396.102866 185.4
[M]+ 375.12765142 186.1
[M]- 375.12874858 186.1
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.