CID 49757938

72180-26-8

Structural Information

Molecular Formula
C14H15F2NO4
SMILES
COC(=O)[C@@H]1CC(CN1C(=O)OCC2=CC=CC=C2)(F)F
InChI
InChI=1S/C14H15F2NO4/c1-20-12(18)11-7-14(15,16)9-17(11)13(19)21-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKey
RLNDGFBHTWITPR-NSHDSACASA-N
Compound name
1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

299.09692 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10420 169.6
[M+Na]+ 322.08614 177.4
[M+NH4]+ 317.13074 175.3
[M+K]+ 338.06008 173.0
[M-H]- 298.08964 167.3
[M+Na-2H]- 320.07159 173.4
[M]+ 299.09637 169.6
[M]- 299.09747 169.6
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