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: 1
Patents: 304.02844 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.035716	162.6
[M+Na]+	327.017658	168.4
[M-H]-	303.021164	167.6
[M+NH4]+	322.062263	176.2
[M+K]+	342.991598	160.0
[M+H-H2O]+	287.025700	160.7
[M+HCOO]-	349.026641	172.9
[M+CH3COO]-	363.042291	190.5
[M+Na-2H]-	325.003106	167.5
[M]+	304.02789142	161.0
[M]-	304.02898858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe