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 153.5
[M+Na]+ 296.97146 160.4
[M-H]- 272.97496 154.2
[M+NH4]+ 292.01606 170.1
[M+K]+ 312.94540 158.7
[M+H-H2O]+ 256.97950 147.6
[M+HCOO]- 318.98044 172.9
[M+CH3COO]- 332.99609 182.3
[M+Na-2H]- 294.95691 158.0
[M]+ 273.98169 155.1
[M]- 273.98279 155.1
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

patents stripe