CID 46737292

433291-96-4

Structural Information

Molecular Formula
C23H18FNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CC=CC=C4F)C(=O)O
InChI
InChI=1S/C23H18FNO4/c24-20-12-6-5-11-18(20)21(22(26)27)25-23(28)29-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19,21H,13H2,(H,25,28)(H,26,27)
InChIKey
HFDAWMNMWMAJCX-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

391.12198 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12926 190.5
[M+Na]+ 414.11120 196.1
[M-H]- 390.11470 196.2
[M+NH4]+ 409.15580 203.9
[M+K]+ 430.08514 191.1
[M+H-H2O]+ 374.11924 181.6
[M+HCOO]- 436.12018 208.4
[M+CH3COO]- 450.13583 221.1
[M+Na-2H]- 412.09665 191.3
[M]+ 391.12143 190.8
[M]- 391.12253 190.8
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

patents stripe