CID 68302

Dichlorophenarsine

Structural Information

Molecular Formula

C₆H₆AsCl₂NO

SMILES

C1=CC(=C(C=C1[As](Cl)Cl)N)O

InChI

InChI=1S/C6H6AsCl2NO/c8-7(9)4-1-2-6(11)5(10)3-4/h1-3,11H,10H2

InChIKey

GCFPPDBNEBHYGT-UHFFFAOYSA-N

Compound name

2-amino-4-dichloroarsanylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3778
Patents: 252.90424 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]+	253.911516	145.5
[M+Na]+	275.893458	154.8
[M-H]-	251.896964	146.8
[M+NH4]+	270.938063	165.0
[M+K]+	291.867398	149.2
[M+H-H2O]+	235.901500	141.8
[M+HCOO]-	297.902441	158.7
[M+CH3COO]-	311.918091	182.8
[M+Na-2H]-	273.878906	148.5
[M]+	252.90369142	145.8
[M]-	252.90478858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe