CID 246668

6630-13-3

Structural Information

Molecular Formula

C₁₄H₁₄ClO₃P

SMILES

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

InChI

InChI=1S/C14H14ClO3P/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

InChIKey

RKQCRIBSOCCBQJ-UHFFFAOYSA-N

Compound name

1-[chloro-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 296.0369 Da
Monoisotopic Mass: 4.6
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]+	297.04418	164.0
[M+Na]+	319.02612	173.2
[M-H]-	295.02962	170.1
[M+NH4]+	314.07072	180.9
[M+K]+	335.00006	169.1
[M+H-H2O]+	279.03416	155.2
[M+HCOO]-	341.03510	188.1
[M+CH3COO]-	355.05075	200.7
[M+Na-2H]-	317.01157	167.1
[M]+	296.03635	170.3
[M]-	296.03745	170.3

Literature stripe

literature stripe

Patent stripe

patents stripe