CID 6453610

Phosphorochloridic acid, bis(2,5-dimethylphenyl) ester

Structural Information

Molecular Formula

C₁₆H₁₈ClO₃P

SMILES

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

InChI

InChI=1S/C16H18ClO3P/c1-11-5-7-13(3)15(9-11)19-21(17,18)20-16-10-12(2)6-8-14(16)4/h5-10H,1-4H3

InChIKey

RGARJWLLEMKZPT-UHFFFAOYSA-N

Compound name

2-[chloro-(2,5-dimethylphenoxy)phosphoryl]oxy-1,4-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 324.0682 Da
Monoisotopic Mass: 5.3
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]+	325.075476	172.1
[M+Na]+	347.057418	182.3
[M-H]-	323.060924	178.7
[M+NH4]+	342.102023	188.6
[M+K]+	363.031358	178.0
[M+H-H2O]+	307.065460	163.5
[M+HCOO]-	369.066401	195.6
[M+CH3COO]-	383.082051	209.1
[M+Na-2H]-	345.042866	173.0
[M]+	324.06765142	180.1
[M]-	324.06874858	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe