CID 10648077

320727-89-7

Structural Information

Molecular Formula
C25H20F3NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C25H20F3NO5/c26-25(27,28)34-16-11-9-15(10-12-16)22(13-23(30)31)29-24(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)
InChIKey
BQTSAOSBQOAEAK-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.12936 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.13664 208.4
[M+Na]+ 494.11858 213.3
[M-H]- 470.12208 211.2
[M+NH4]+ 489.16318 218.3
[M+K]+ 510.09252 208.6
[M+H-H2O]+ 454.12662 197.7
[M+HCOO]- 516.12756 221.9
[M+CH3COO]- 530.14321 234.0
[M+Na-2H]- 492.10403 208.4
[M]+ 471.12881 208.1
[M]- 471.12991 208.1
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.