CID 94994

Carbarsone oxide

Structural Information

Molecular Formula

C₇H₇AsN₂O₂

SMILES

C1=CC(=CC=C1NC(=O)N)[As]=O

InChI

InChI=1S/C7H7AsN2O2/c9-7(11)10-6-3-1-5(8-12)2-4-6/h1-4H,(H3,9,10,11)

InChIKey

WWXFAARCKPTHAQ-UHFFFAOYSA-N

Compound name

(4-arsorosophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 225.97235 Da
Monoisotopic Mass: None
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]+	226.97963	143.2
[M+Na]+	248.96157	150.1
[M-H]-	224.96507	146.3
[M+NH4]+	244.00617	162.4
[M+K]+	264.93551	148.0
[M+H-H2O]+	208.96961	136.4
[M+HCOO]-	270.97055	168.8
[M+CH3COO]-	284.98620	183.2
[M+Na-2H]-	246.94702	148.3
[M]+	225.97180	141.3
[M]-	225.97290	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe