CID 21922655

1922779-60-9

Structural Information

Molecular Formula
C13H13F2NO4
SMILES
C1C(N(CC1(F)F)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H13F2NO4/c14-13(15)6-10(11(17)18)16(8-13)12(19)20-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)
InChIKey
ICXGOKDOIFGMDR-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

285.08127 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08855 159.8
[M+Na]+ 308.07049 167.0
[M-H]- 284.07399 161.4
[M+NH4]+ 303.11509 177.0
[M+K]+ 324.04443 164.4
[M+H-H2O]+ 268.07853 151.7
[M+HCOO]- 330.07947 176.8
[M+CH3COO]- 344.09512 193.9
[M+Na-2H]- 306.05594 160.0
[M]+ 285.08072 157.0
[M]- 285.08182 157.0
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