CID 464708

51144-97-9

Structural Information

Molecular Formula

C₁₀H₇ClN₂O₄S

SMILES

C1=CN(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H7ClN2O4S/c11-8-3-4-10(9(7-8)13(14)15)18(16,17)12-5-1-2-6-12/h1-7H

InChIKey

NZZRUBKPFOEDEL-UHFFFAOYSA-N

Compound name

1-(4-chloro-2-nitrophenyl)sulfonylpyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 285.9815 Da
Monoisotopic Mass: 2.3
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]+	286.98878	159.6
[M+Na]+	308.97072	168.9
[M-H]-	284.97422	166.2
[M+NH4]+	304.01532	176.0
[M+K]+	324.94466	160.3
[M+H-H2O]+	268.97876	158.2
[M+HCOO]-	330.97970	175.1
[M+CH3COO]-	344.99535	186.3
[M+Na-2H]-	306.95617	165.1
[M]+	285.98095	162.4
[M]-	285.98205	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.