CID 44598475

1223105-51-8

Structural Information

Molecular Formula
C25H21F2NO4
SMILES
C[C@](CC1=C(C=CC=C1F)F)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H21F2NO4/c1-25(23(29)30,13-19-21(26)11-6-12-22(19)27)28-24(31)32-14-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-12,20H,13-14H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKey
MRIVYBRWULFPFJ-VWLOTQADSA-N
Compound name
(2S)-3-(2,6-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.14386 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15114 203.6
[M+Na]+ 460.13308 209.9
[M-H]- 436.13658 208.1
[M+NH4]+ 455.17768 215.4
[M+K]+ 476.10702 204.2
[M+H-H2O]+ 420.14112 194.0
[M+HCOO]- 482.14206 219.0
[M+CH3COO]- 496.15771 230.3
[M+Na-2H]- 458.11853 204.3
[M]+ 437.14331 204.0
[M]- 437.14441 204.0
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.