CID 68968394

2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-fluorophenyl)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

391.12198 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.129256 190.5
[M+Na]+ 414.111198 196.1
[M-H]- 390.114704 196.2
[M+NH4]+ 409.155803 203.9
[M+K]+ 430.085138 191.1
[M+H-H2O]+ 374.119240 181.6
[M+HCOO]- 436.120181 208.4
[M+CH3COO]- 450.135831 221.1
[M+Na-2H]- 412.096646 191.3
[M]+ 391.12143142 190.8
[M]- 391.12252858 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