CID 116491

Benzenearsonic acid, p-(2-oxopropoxy)-

Structural Information

Molecular Formula
C9H11AsO5
SMILES
CC(=O)COC1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C9H11AsO5/c1-7(11)6-15-9-4-2-8(3-5-9)10(12,13)14/h2-5H,6H2,1H3,(H2,12,13,14)
InChIKey
IPDLHOGKOAVQTF-UHFFFAOYSA-N
Compound name
[4-(2-oxopropoxy)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.98224 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98952 152.1
[M+Na]+ 296.97146 161.9
[M+NH4]+ 292.01606 157.4
[M+K]+ 312.94540 158.6
[M-H]- 272.97496 150.4
[M+Na-2H]- 294.95691 155.6
[M]+ 273.98169 152.7
[M]- 273.98279 152.7
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

patents stripe