CID 85982076

4-phenylpiperidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H14ClNO2S
SMILES
C1CN(CCC1C2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H14ClNO2S/c12-16(14,15)13-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
YHRJYALJKYVQCE-UHFFFAOYSA-N
Compound name
4-phenylpiperidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

259.04337 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05065 154.5
[M+Na]+ 282.03259 167.4
[M+NH4]+ 277.07719 163.2
[M+K]+ 298.00653 158.6
[M-H]- 258.03609 157.4
[M+Na-2H]- 280.01804 161.7
[M]+ 259.04282 157.9
[M]- 259.04392 157.9
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