CID 132350897

2137462-64-5

Structural Information

Molecular Formula
C21H18F3NO4
SMILES
C1CC1(C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(F)(F)F
InChI
InChI=1S/C21H18F3NO4/c22-21(23,24)20(9-10-20)17(18(26)27)25-19(28)29-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,25,28)(H,26,27)
InChIKey
VNLPVSVGNCEUOA-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(trifluoromethyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1188 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12608 182.9
[M+Na]+ 428.10802 190.6
[M-H]- 404.11152 186.3
[M+NH4]+ 423.15262 193.3
[M+K]+ 444.08196 185.3
[M+H-H2O]+ 388.11606 175.3
[M+HCOO]- 450.11700 196.5
[M+CH3COO]- 464.13265 222.4
[M+Na-2H]- 426.09347 185.4
[M]+ 405.11825 183.9
[M]- 405.11935 183.9
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.