CID 2779793

165669-32-9

Structural Information

Molecular Formula
C10H12ClNO4S2
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H12ClNO4S2/c11-17(13,14)9-3-5-10(6-4-9)18(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKey
ZXYZKIFFWKXROK-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

308.98962 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.99690 167.7
[M+Na]+ 331.97884 177.4
[M+NH4]+ 327.02344 174.4
[M+K]+ 347.95278 170.9
[M-H]- 307.98234 167.8
[M+Na-2H]- 329.96429 171.7
[M]+ 308.98907 170.1
[M]- 308.99017 170.1
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

patents stripe