CID 312399

2-hydroxypropyl(phenyl)arsinic acid

Structural Information

Molecular Formula
C9H13AsO3
SMILES
CC(C[As](=O)(C1=CC=CC=C1)O)O
InChI
InChI=1S/C9H13AsO3/c1-8(11)7-10(12,13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)
InChIKey
AAUAODOXPIIHAN-UHFFFAOYSA-N
Compound name
2-hydroxypropyl(phenyl)arsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.00806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01534 149.9
[M+Na]+ 266.99728 155.9
[M-H]- 243.00078 150.3
[M+NH4]+ 262.04188 167.7
[M+K]+ 282.97122 153.5
[M+H-H2O]+ 227.00532 144.3
[M+HCOO]- 289.00626 168.8
[M+CH3COO]- 303.02191 177.7
[M+Na-2H]- 264.98273 154.9
[M]+ 244.00751 148.9
[M]- 244.00861 148.9
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

patents stripe