CID 190353

Di-m-tolyl phosphate

Structural Information

Molecular Formula

C₁₄H₁₅O₄P

SMILES

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

InChI

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

InChIKey

JIHHEDIKJNYFHY-UHFFFAOYSA-N

Compound name

bis(3-methylphenyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 96
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]+	279.078076	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

Literature stripe

literature stripe

Patent stripe

patents stripe