CID 2945073

1-(4-chlorobenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H12ClNO5S
SMILES
C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C11H12ClNO5S/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)
InChIKey
AFRSUXWJUFUMFM-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.01248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01976 162.9
[M+Na]+ 328.00170 171.5
[M-H]- 304.00520 166.5
[M+NH4]+ 323.04630 178.4
[M+K]+ 343.97564 166.8
[M+H-H2O]+ 288.00974 158.4
[M+HCOO]- 350.01068 171.3
[M+CH3COO]- 364.02633 191.7
[M+Na-2H]- 325.98715 162.4
[M]+ 305.01193 165.3
[M]- 305.01303 165.3
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.