CID 3778344

1-(3,4-dichlorobenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H11Cl2NO5S
SMILES
C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C11H11Cl2NO5S/c12-8-2-1-7(4-9(8)13)20(18,19)14-5-6(15)3-10(14)11(16)17/h1-2,4,6,10,15H,3,5H2,(H,16,17)
InChIKey
QJEYDAZODKHMTB-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.9735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.98078 167.4
[M+Na]+ 361.96272 176.9
[M-H]- 337.96622 171.0
[M+NH4]+ 357.00732 182.2
[M+K]+ 377.93666 171.4
[M+H-H2O]+ 321.97076 163.9
[M+HCOO]- 383.97170 170.9
[M+CH3COO]- 397.98735 197.5
[M+Na-2H]- 359.94817 165.9
[M]+ 338.97295 171.1
[M]- 338.97405 171.1
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.