CID 175685732

O-tolyl p-tolyl hydrogen phosphate

Structural Information

Molecular Formula
C14H15O4P
SMILES
CC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C
InChI
InChI=1S/C14H15O4P/c1-11-7-9-13(10-8-11)17-19(15,16)18-14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H,15,16)
InChIKey
QGBDFIKCSLOPPX-UHFFFAOYSA-N
Compound name
(2-methylphenyl) (4-methylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0708 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.078076 162.7
[M+Na]+ 301.060018 170.4
[M-H]- 277.063524 167.4
[M+NH4]+ 296.104623 178.5
[M+K]+ 317.033958 167.9
[M+H-H2O]+ 261.068060 153.3
[M+HCOO]- 323.069001 190.0
[M+CH3COO]- 337.084651 196.6
[M+Na-2H]- 299.045466 165.8
[M]+ 278.07025142 166.3
[M]- 278.07134858 166.3
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

No patent data available for this compound.