CID 6362814

(2s,4r)-1-(4-fluorobenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H12FNO5S
SMILES
C1[C@H](CN([C@@H]1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)F)O
InChI
InChI=1S/C11H12FNO5S/c12-7-1-3-9(4-2-7)19(17,18)13-6-8(14)5-10(13)11(15)16/h1-4,8,10,14H,5-6H2,(H,15,16)/t8-,10+/m1/s1
InChIKey
YDYGDLFTYNVSOS-SCZZXKLOSA-N
Compound name
(2S,4R)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

289.04202 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04930 159.5
[M+Na]+ 312.03124 167.5
[M-H]- 288.03474 161.5
[M+NH4]+ 307.07584 174.6
[M+K]+ 328.00518 163.9
[M+H-H2O]+ 272.03928 153.1
[M+HCOO]- 334.04022 171.3
[M+CH3COO]- 348.05587 190.7
[M+Na-2H]- 310.01669 158.8
[M]+ 289.04147 158.8
[M]- 289.04257 158.8
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