CID 2829396

843-24-3

Structural Information

Molecular Formula
C14H15O4P
SMILES
CC1=CC=C(C=C1)OP(=O)(O)OC2=CC=C(C=C2)C
InChI
InChI=1S/C14H15O4P/c1-11-3-7-13(8-4-11)17-19(15,16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,15,16)
InChIKey
PLUDEAUQZKPAIN-UHFFFAOYSA-N
Compound name
bis(4-methylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

779
Patents

278.0708 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07808 162.7
[M+Na]+ 301.06002 170.4
[M-H]- 277.06352 167.4
[M+NH4]+ 296.10462 178.5
[M+K]+ 317.03396 167.9
[M+H-H2O]+ 261.06806 153.3
[M+HCOO]- 323.06900 190.0
[M+CH3COO]- 337.08465 196.6
[M+Na-2H]- 299.04547 165.8
[M]+ 278.07025 166.3
[M]- 278.07135 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.