CID 201375

5853-68-9

Structural Information

Molecular Formula
C9H11O3P
SMILES
CCP1(=O)OCC2=CC=CC=C2O1
InChI
InChI=1S/C9H11O3P/c1-2-13(10)11-7-8-5-3-4-6-9(8)12-13/h3-6H,2,7H2,1H3
InChIKey
USAPFLLRONGKJO-UHFFFAOYSA-N
Compound name
2-ethyl-4H-1,3,2lambda5-benzodioxaphosphinine 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04459 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05187 141.1
[M+Na]+ 221.03381 149.6
[M-H]- 197.03731 145.9
[M+NH4]+ 216.07841 161.4
[M+K]+ 237.00775 150.5
[M+H-H2O]+ 181.04185 133.3
[M+HCOO]- 243.04279 166.7
[M+CH3COO]- 257.05844 182.6
[M+Na-2H]- 219.01926 148.5
[M]+ 198.04404 143.7
[M]- 198.04514 143.7
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.