CID 132350984

2138434-68-9

Structural Information

Molecular Formula
C25H22FNO4
SMILES
CC(CC(=O)O)(C1=CC=CC=C1F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H22FNO4/c1-25(14-23(28)29,21-12-6-7-13-22(21)26)27-24(30)31-15-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-13,20H,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKey
YNMUWKSJVDHKCC-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1533 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.160576 200.1
[M+Na]+ 442.142518 205.4
[M-H]- 418.146024 205.6
[M+NH4]+ 437.187123 212.4
[M+K]+ 458.116458 200.1
[M+H-H2O]+ 402.150560 191.2
[M+HCOO]- 464.151501 216.6
[M+CH3COO]- 478.167151 226.4
[M+Na-2H]- 440.127966 202.1
[M]+ 419.15275142 201.1
[M]- 419.15384858 201.1
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.