CID 12715366

Schembl218003

Structural Information

Molecular Formula

C₁₃H₁₃O₄P

SMILES

CC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2

InChI

InChI=1S/C13H13O4P/c1-11-7-9-13(10-8-11)17-18(14,15)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,14,15)

InChIKey

QLJCXHUYOMXRQL-UHFFFAOYSA-N

Compound name

(4-methylphenyl) phenyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 784
Patents: 264.05515 Da
Monoisotopic Mass: 1.7
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]+	265.06243	158.5
[M+Na]+	287.04437	165.6
[M-H]-	263.04787	162.9
[M+NH4]+	282.08897	174.5
[M+K]+	303.01831	163.3
[M+H-H2O]+	247.05241	149.0
[M+HCOO]-	309.05335	186.1
[M+CH3COO]-	323.06900	192.4
[M+Na-2H]-	285.02982	162.6
[M]+	264.05460	161.2
[M]-	264.05570	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe