CID 2768384

53162-43-9

Structural Information

Molecular Formula
C11H13ClN2O4S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H13ClN2O4S/c12-10-5-4-9(8-11(10)14(15)16)19(17,18)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKey
IYPKFPRPNYXJDZ-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-nitrophenyl)sulfonylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.02844 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.03572 162.6
[M+Na]+ 327.01766 168.4
[M-H]- 303.02116 167.6
[M+NH4]+ 322.06226 176.2
[M+K]+ 342.99160 160.0
[M+H-H2O]+ 287.02570 160.7
[M+HCOO]- 349.02664 172.9
[M+CH3COO]- 363.04229 190.5
[M+Na-2H]- 325.00311 167.5
[M]+ 304.02789 161.0
[M]- 304.02899 161.0
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

No patent data available for this compound.