CID 43084222

((3-chlorophenyl)sulfonyl)proline

Structural Information

Molecular Formula
C11H12ClNO4S
SMILES
C1CC(N(C1)S(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C11H12ClNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)
InChIKey
CXDCZBNJZWAXSZ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

289.01755 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.02483 160.8
[M+Na]+ 312.00677 169.4
[M-H]- 288.01027 165.5
[M+NH4]+ 307.05137 177.5
[M+K]+ 327.98071 164.9
[M+H-H2O]+ 272.01481 155.8
[M+HCOO]- 334.01575 170.5
[M+CH3COO]- 348.03140 190.6
[M+Na-2H]- 309.99222 160.9
[M]+ 289.01700 163.2
[M]- 289.01810 163.2
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