CID 120143

P-nitrophenylsulfonylurea

Structural Information

Molecular Formula

C₇H₇N₃O₅S

SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC(=O)N

InChI

InChI=1S/C7H7N3O5S/c8-7(11)9-16(14,15)6-3-1-5(2-4-6)10(12)13/h1-4H,(H3,8,9,11)

InChIKey

OLOWDQIMFNQPJS-UHFFFAOYSA-N

Compound name

(4-nitrophenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 245.01064 Da
Monoisotopic Mass: 0.1
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]+	246.01792	143.9
[M+Na]+	267.99986	149.8
[M-H]-	244.00336	147.2
[M+NH4]+	263.04446	159.2
[M+K]+	283.97380	143.3
[M+H-H2O]+	228.00790	141.7
[M+HCOO]-	290.00884	164.5
[M+CH3COO]-	304.02449	184.1
[M+Na-2H]-	265.98531	151.1
[M]+	245.01009	141.8
[M]-	245.01119	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe