CID 103663879

678991-02-1

Structural Information

Molecular Formula
C24H18F3NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CC=CC=C4C(F)(F)F)C(=O)O
InChI
InChI=1S/C24H18F3NO4/c25-24(26,27)20-12-6-5-11-18(20)21(22(29)30)28-23(31)32-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19,21H,13H2,(H,28,31)(H,29,30)
InChIKey
DMTFGKGIANTPRI-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1188 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.12608 199.0
[M+Na]+ 464.10802 206.8
[M+NH4]+ 459.15262 202.9
[M+K]+ 480.08196 203.4
[M-H]- 440.11152 197.4
[M+Na-2H]- 462.09347 201.6
[M]+ 441.11825 199.2
[M]- 441.11935 199.2
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.