CID 30853

Arsine oxide, hydroxy(2-hydroxypropyl)phenyl-

Structural Information

Molecular Formula
C9H13AsO3
SMILES
C1=CC=C(C=C1)[As](=O)(CCCO)O
InChI
InChI=1S/C9H13AsO3/c11-8-4-7-10(12,13)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H,12,13)
InChIKey
CSJZGGHEOJTTTR-UHFFFAOYSA-N
Compound name
3-hydroxypropyl(phenyl)arsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.00806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01534 150.0
[M+Na]+ 266.99728 156.3
[M-H]- 243.00078 150.3
[M+NH4]+ 262.04188 167.9
[M+K]+ 282.97122 153.4
[M+H-H2O]+ 227.00532 144.3
[M+HCOO]- 289.00626 169.9
[M+CH3COO]- 303.02191 176.8
[M+Na-2H]- 264.98273 156.2
[M]+ 244.00751 149.7
[M]- 244.00861 149.7
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.