CID 3056538

Methyl(2-phenylethyl)arsinic acid

Structural Information

Molecular Formula
C9H13AsO2
SMILES
C[As](=O)(CCC1=CC=CC=C1)O
InChI
InChI=1S/C9H13AsO2/c1-10(11,12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKey
LCSBELKUWOMJII-UHFFFAOYSA-N
Compound name
methyl(2-phenylethyl)arsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.01315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02043 146.3
[M+Na]+ 251.00237 153.1
[M-H]- 227.00587 148.1
[M+NH4]+ 246.04697 165.6
[M+K]+ 266.97631 150.6
[M+H-H2O]+ 211.01041 140.6
[M+HCOO]- 273.01135 167.5
[M+CH3COO]- 287.02700 177.4
[M+Na-2H]- 248.98782 152.9
[M]+ 228.01260 146.4
[M]- 228.01370 146.4
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.