CID 246551

Bis(3,5-dimethylphenyl) phosphorochloridate

Structural Information

Molecular Formula
C16H18ClO3P
SMILES
CC1=CC(=CC(=C1)OP(=O)(OC2=CC(=CC(=C2)C)C)Cl)C
InChI
InChI=1S/C16H18ClO3P/c1-11-5-12(2)8-15(7-11)19-21(17,18)20-16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChIKey
VYHGCXOQLBEEJN-UHFFFAOYSA-N
Compound name
1-[chloro-(3,5-dimethylphenoxy)phosphoryl]oxy-3,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

324.0682 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07548 172.0
[M+Na]+ 347.05742 187.4
[M+NH4]+ 342.10202 179.9
[M+K]+ 363.03136 179.9
[M-H]- 323.06092 175.6
[M+Na-2H]- 345.04287 180.0
[M]+ 324.06765 175.7
[M]- 324.06875 175.7
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