CID 92302

35787-74-7

Structural Information

Molecular Formula

C₁₄H₁₅O₄P

SMILES

CC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C

InChI

InChI=1S/C14H15O4P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,15,16)

InChIKey

OHRCKPRYDGSBRN-UHFFFAOYSA-N

Compound name

bis(2-methylphenyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 278.0708 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.07808	161.7
[M+Na]+	301.06002	174.8
[M+NH4]+	296.10462	168.7
[M+K]+	317.03396	169.1
[M-H]-	277.06352	164.1
[M+Na-2H]-	299.04547	169.4
[M]+	278.07025	164.2
[M]-	278.07135	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe