CID 132350907

2138257-73-3

Structural Information

Molecular Formula
C20H18FNO4
SMILES
C1C(CC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F
InChI
InChI=1S/C20H18FNO4/c21-12-9-20(10-12,18(23)24)22-19(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,22,25)(H,23,24)
InChIKey
UOIBROULPAFHLV-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.12198 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12926 182.9
[M+Na]+ 378.11120 187.9
[M-H]- 354.11470 188.4
[M+NH4]+ 373.15580 193.6
[M+K]+ 394.08514 186.7
[M+H-H2O]+ 338.11924 170.1
[M+HCOO]- 400.12018 199.5
[M+CH3COO]- 414.13583 215.5
[M+Na-2H]- 376.09665 184.2
[M]+ 355.12143 191.2
[M]- 355.12253 191.2
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.