CID 3057165

73972-77-7

Structural Information

Molecular Formula
C11H15O4P
SMILES
CC1CCOP(=O)(O1)OC2=CC=CC(=C2)C
InChI
InChI=1S/C11H15O4P/c1-9-4-3-5-11(8-9)15-16(12)13-7-6-10(2)14-16/h3-5,8,10H,6-7H2,1-2H3
InChIKey
LSBMBRVHZCTEPP-UHFFFAOYSA-N
Compound name
4-methyl-2-(3-methylphenoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.0708 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07808 153.0
[M+Na]+ 265.06002 160.3
[M-H]- 241.06352 159.9
[M+NH4]+ 260.10462 170.3
[M+K]+ 281.03396 161.7
[M+H-H2O]+ 225.06806 144.2
[M+HCOO]- 287.06900 178.3
[M+CH3COO]- 301.08465 190.5
[M+Na-2H]- 263.04547 157.2
[M]+ 242.07025 155.3
[M]- 242.07135 155.3
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