CID 6437949

Beta-chlorovinylarsonic acid

Structural Information

Molecular Formula

C₂H₄AsClO₃

SMILES

C(=C/[As](=O)(O)O)\Cl

InChI

InChI=1S/C2H4AsClO3/c4-2-1-3(5,6)7/h1-2H,(H2,5,6,7)/b2-1+

InChIKey

ZIFKIDBGHAWONQ-OWOJBTEDSA-N

Compound name

[(E)-2-chloroethenyl]arsonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 185.9065 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]+	186.91378	129.5
[M+Na]+	208.89572	138.5
[M-H]-	184.89922	127.3
[M+NH4]+	203.94032	150.9
[M+K]+	224.86966	135.3
[M+H-H2O]+	168.90376	126.9
[M+HCOO]-	230.90470	145.7
[M+CH3COO]-	244.92035	162.6
[M+Na-2H]-	206.88117	136.3
[M]+	185.90595	130.0
[M]-	185.90705	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe