CID 223352

P-phenacyloxybenzenearsonic acid

Structural Information

Molecular Formula
C14H13AsO5
SMILES
C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)[As](=O)(O)O
InChI
InChI=1S/C14H13AsO5/c16-14(11-4-2-1-3-5-11)10-20-13-8-6-12(7-9-13)15(17,18)19/h1-9H,10H2,(H2,17,18,19)
InChIKey
HGPSAXVNJQYQQA-UHFFFAOYSA-N
Compound name
(4-phenacyloxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9979 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.00518 170.1
[M+Na]+ 358.98712 176.0
[M-H]- 334.99062 173.7
[M+NH4]+ 354.03172 183.5
[M+K]+ 374.96106 172.7
[M+H-H2O]+ 318.99516 162.4
[M+HCOO]- 380.99610 189.2
[M+CH3COO]- 395.01175 193.4
[M+Na-2H]- 356.97257 174.6
[M]+ 335.99735 170.7
[M]- 335.99845 170.7
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.