CID 15591290

P-isopropylphenyl phenyl phosphate

Structural Information

Molecular Formula
C15H17O4P
SMILES
CC(C)C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2
InChI
InChI=1S/C15H17O4P/c1-12(2)13-8-10-15(11-9-13)19-20(16,17)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,16,17)
InChIKey
BAMFFSDSHNMEPI-UHFFFAOYSA-N
Compound name
phenyl (4-propan-2-ylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

292.08646 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09374 167.7
[M+Na]+ 315.07568 173.7
[M-H]- 291.07918 171.8
[M+NH4]+ 310.12028 182.5
[M+K]+ 331.04962 171.5
[M+H-H2O]+ 275.08372 158.0
[M+HCOO]- 337.08466 193.6
[M+CH3COO]- 351.10031 199.2
[M+Na-2H]- 313.06113 169.7
[M]+ 292.08591 170.6
[M]- 292.08701 170.6
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