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

73
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 177.0
[M-H]- 307.98234 173.5
[M+NH4]+ 327.02344 184.3
[M+K]+ 347.95278 171.8
[M+H-H2O]+ 291.98688 163.0
[M+HCOO]- 353.98782 173.6
[M+CH3COO]- 368.00347 192.4
[M+Na-2H]- 329.96429 169.3
[M]+ 308.98907 171.2
[M]- 308.99017 171.2
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