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

literature stripe

Patent stripe

patents stripe