CID 512125

72304-90-6

Structural Information

Molecular Formula
C11H13O6P
SMILES
CC(=O)C1=CC=C(C=C1)OP(=O)(C(=O)OC)OC
InChI
InChI=1S/C11H13O6P/c1-8(12)9-4-6-10(7-5-9)17-18(14,16-3)11(13)15-2/h4-7H,1-3H3
InChIKey
RPXVINQTOFHSTL-UHFFFAOYSA-N
Compound name
methyl [(4-acetylphenoxy)-methoxyphosphoryl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

272.04498 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05226 155.9
[M+Na]+ 295.03420 163.1
[M-H]- 271.03770 158.7
[M+NH4]+ 290.07880 172.6
[M+K]+ 311.00814 163.8
[M+H-H2O]+ 255.04224 147.6
[M+HCOO]- 317.04318 183.3
[M+CH3COO]- 331.05883 196.5
[M+Na-2H]- 293.01965 157.8
[M]+ 272.04443 163.1
[M]- 272.04553 163.1
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

No patent data available for this compound.