CID 24847718

2,4-xylenearsonic acid,magnesium

Structural Information

Molecular Formula
C8H11AsO3
SMILES
CC1=CC(=C(C=C1)C)[As](=O)(O)O
InChI
InChI=1S/C8H11AsO3/c1-6-3-4-7(2)8(5-6)9(10,11)12/h3-5H,1-2H3,(H2,10,11,12)
InChIKey
LIBUSEXCLHWCIE-UHFFFAOYSA-N
Compound name
(2,5-dimethylphenyl)arsonic 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 144.0
[M+Na]+ 252.98164 152.6
[M-H]- 228.98514 145.3
[M+NH4]+ 248.02624 163.1
[M+K]+ 268.95558 150.0
[M+H-H2O]+ 212.98968 139.0
[M+HCOO]- 274.99062 164.2
[M+CH3COO]- 289.00627 176.2
[M+Na-2H]- 250.96709 149.4
[M]+ 229.99187 144.1
[M]- 229.99297 144.1
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.