CID 84709959

2-(piperidin-1-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H14ClNO2S
SMILES
C1CCN(CC1)C2=CC=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C11H14ClNO2S/c12-16(14,15)11-7-3-2-6-10(11)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChIKey
FLHLIIPMJSLEMP-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.04337 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05065 153.8
[M+Na]+ 282.03259 161.3
[M-H]- 258.03609 158.9
[M+NH4]+ 277.07719 170.4
[M+K]+ 298.00653 156.5
[M+H-H2O]+ 242.04063 147.5
[M+HCOO]- 304.04157 163.3
[M+CH3COO]- 318.05722 188.2
[M+Na-2H]- 280.01804 157.1
[M]+ 259.04282 153.7
[M]- 259.04392 153.7
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