CID 165903988

2639451-16-2

Structural Information

Molecular Formula
C22H22F2N2O4
SMILES
C1CN(CCN1CC(C(=O)O)(F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H22F2N2O4/c23-22(24,20(27)28)14-25-9-11-26(12-10-25)21(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,27,28)
InChIKey
UWMBSNDSBVNAKA-UHFFFAOYSA-N
Compound name
3-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-2,2-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.15475 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16203 198.0
[M+Na]+ 439.14397 202.5
[M-H]- 415.14747 198.7
[M+NH4]+ 434.18857 207.8
[M+K]+ 455.11791 197.3
[M+H-H2O]+ 399.15201 187.2
[M+HCOO]- 461.15295 206.5
[M+CH3COO]- 475.16860 221.5
[M+Na-2H]- 437.12942 197.3
[M]+ 416.15420 194.3
[M]- 416.15530 194.3
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.