CID 16228398

4-(piperidine-1-sulfonyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H14ClNO4S2
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H14ClNO4S2/c12-18(14,15)10-4-6-11(7-5-10)19(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2
InChIKey
JWZLPLIHIUJEDU-UHFFFAOYSA-N
Compound name
4-piperidin-1-ylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.00528 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.01256 167.6
[M+Na]+ 345.99450 175.0
[M-H]- 321.99800 172.4
[M+NH4]+ 341.03910 181.4
[M+K]+ 361.96844 169.4
[M+H-H2O]+ 306.00254 161.9
[M+HCOO]- 368.00348 171.0
[M+CH3COO]- 382.01913 195.9
[M+Na-2H]- 343.97995 170.7
[M]+ 323.00473 169.0
[M]- 323.00583 169.0
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