CID 11118213

Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate

Structural Information

Molecular Formula
C10H11O5P
SMILES
COP(=O)(C1C2=CC=CC=C2C(=O)O1)OC
InChI
InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3
InChIKey
KEKUNQAVGWOYDW-UHFFFAOYSA-N
Compound name
3-dimethoxyphosphoryl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

242.03441 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04169 148.8
[M+Na]+ 265.02363 157.8
[M-H]- 241.02713 153.3
[M+NH4]+ 260.06823 168.6
[M+K]+ 280.99757 158.2
[M+H-H2O]+ 225.03167 141.8
[M+HCOO]- 287.03261 176.2
[M+CH3COO]- 301.04826 190.4
[M+Na-2H]- 263.00908 153.5
[M]+ 242.03386 155.1
[M]- 242.03496 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

literature stripe

Patent stripe

patents stripe