CID 6559079

217326-48-2

Structural Information

Molecular Formula
C11H11Cl2NO4S
SMILES
C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H11Cl2NO4S/c12-7-4-8(13)6-9(5-7)19(17,18)14-3-1-2-10(14)11(15)16/h4-6,10H,1-3H2,(H,15,16)/t10-/m0/s1
InChIKey
SRQOBFXQILTASR-JTQLQIEISA-N
Compound name
(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

322.97858 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.98586 165.9
[M+Na]+ 345.96780 175.4
[M-H]- 321.97130 170.5
[M+NH4]+ 341.01240 181.9
[M+K]+ 361.94174 169.9
[M+H-H2O]+ 305.97584 161.8
[M+HCOO]- 367.97678 170.6
[M+CH3COO]- 381.99243 196.3
[M+Na-2H]- 343.95325 164.8
[M]+ 322.97803 169.6
[M]- 322.97913 169.6
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.