CID 103663788

678988-22-2

Structural Information

Molecular Formula
C23H17F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=C(C=CC(=C4)F)F)C(=O)O
InChI
InChI=1S/C23H17F2NO4/c24-13-9-10-20(25)18(11-13)21(22(27)28)26-23(29)30-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19,21H,12H2,(H,26,29)(H,27,28)
InChIKey
IFRHOKKAJGRVJG-UHFFFAOYSA-N
Compound name
2-(2,5-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.11258 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11986 194.5
[M+Na]+ 432.10180 204.6
[M+NH4]+ 427.14640 199.9
[M+K]+ 448.07574 200.2
[M-H]- 408.10530 195.3
[M+Na-2H]- 430.08725 198.0
[M]+ 409.11203 195.8
[M]- 409.11313 195.8
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.