CID 116256

2,4-xylenearsonic acid

Structural Information

Molecular Formula
C8H11AsO3
SMILES
CC1=CC(=C(C=C1)O[As](O)O)C
InChI
InChI=1S/C8H11AsO3/c1-6-3-4-8(7(2)5-6)12-9(10)11/h3-5,10-11H,1-2H3
InChIKey
AOANEEXKNUIVFK-UHFFFAOYSA-N
Compound name
(2,4-dimethylphenoxy)arsonous acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99242 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99970 145.2
[M+Na]+ 252.98164 152.8
[M-H]- 228.98514 146.3
[M+NH4]+ 248.02624 164.1
[M+K]+ 268.95558 150.9
[M+H-H2O]+ 212.98968 139.6
[M+HCOO]- 274.99062 165.8
[M+CH3COO]- 289.00627 177.5
[M+Na-2H]- 250.96709 148.6
[M]+ 229.99187 145.8
[M]- 229.99297 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.