CID 223343

(4-dimethylaminophenyl)arsonic acid

Structural Information

Molecular Formula

C₈H₁₂AsNO₃

SMILES

CN(C)C1=CC=C(C=C1)[As](=O)(O)O

InChI

InChI=1S/C8H12AsNO3/c1-10(2)8-5-3-7(4-6-8)9(11,12)13/h3-6H,1-2H3,(H2,11,12,13)

InChIKey

LPDVLRXMXBPGTC-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)phenyl]arsonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.00331 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]+	246.01059	148.1
[M+Na]+	267.99253	155.0
[M-H]-	243.99603	150.4
[M+NH4]+	263.03713	166.5
[M+K]+	283.96647	153.7
[M+H-H2O]+	228.00057	142.2
[M+HCOO]-	290.00151	169.8
[M+CH3COO]-	304.01716	183.4
[M+Na-2H]-	265.97798	153.7
[M]+	245.00276	148.2
[M]-	245.00386	148.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.