CID 121604284

1936532-04-5

Structural Information

Molecular Formula
C20H17F2NO4
SMILES
C1C(CC1(F)F)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H17F2NO4/c21-20(22)10-19(11-20,17(24)25)23-18(26)27-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,23,26)(H,24,25)
InChIKey
KOAFADIYZDQTFI-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

373.11258 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11986 188.7
[M+Na]+ 396.10180 195.0
[M-H]- 372.10530 193.3
[M+NH4]+ 391.14640 200.7
[M+K]+ 412.07574 193.2
[M+H-H2O]+ 356.10984 175.8
[M+HCOO]- 418.11078 204.2
[M+CH3COO]- 432.12643 217.6
[M+Na-2H]- 394.08725 190.4
[M]+ 373.11203 196.5
[M]- 373.11313 196.5
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