CID 104993

1222-87-3

Structural Information

Molecular Formula
C14H13O4P
SMILES
CC1=CC=CC=C1OP2(=O)OCC3=CC=CC=C3O2
InChI
InChI=1S/C14H13O4P/c1-11-6-2-4-8-13(11)17-19(15)16-10-12-7-3-5-9-14(12)18-19/h2-9H,10H2,1H3
InChIKey
LKQSEFCGKYFESN-UHFFFAOYSA-N
Compound name
2-(2-methylphenoxy)-4H-1,3,2lambda5-benzodioxaphosphinine 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

49
References

657
Patents

276.05515 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06243 161.3
[M+Na]+ 299.04437 169.7
[M-H]- 275.04787 169.2
[M+NH4]+ 294.08897 177.9
[M+K]+ 315.01831 169.6
[M+H-H2O]+ 259.05241 151.1
[M+HCOO]- 321.05335 186.6
[M+CH3COO]- 335.06900 197.0
[M+Na-2H]- 297.02982 167.2
[M]+ 276.05460 164.3
[M]- 276.05570 164.3
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