CID 511880

Phosphinecarboxylic acid, hydroxyphenoxy-, phenyl ester, oxide

Structural Information

Molecular Formula
C13H11O5P
SMILES
C1=CC=C(C=C1)OC(=O)P(=O)(O)OC2=CC=CC=C2
InChI
InChI=1S/C13H11O5P/c14-13(17-11-7-3-1-4-8-11)19(15,16)18-12-9-5-2-6-10-12/h1-10H,(H,15,16)
InChIKey
MPPKAYMWUXSXQN-UHFFFAOYSA-N
Compound name
phenoxy(phenoxycarbonyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

278.03442 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04170 160.0
[M+Na]+ 301.02364 166.1
[M-H]- 277.02714 164.2
[M+NH4]+ 296.06824 174.9
[M+K]+ 316.99758 164.4
[M+H-H2O]+ 261.03168 150.3
[M+HCOO]- 323.03262 187.0
[M+CH3COO]- 337.04827 192.6
[M+Na-2H]- 299.00909 163.9
[M]+ 278.03387 162.4
[M]- 278.03497 162.4
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