CID 175695

Brn 2872004

Structural Information

Molecular Formula
C13H11Cl2O3P
SMILES
COP(=O)(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2O3P/c1-17-19(16,11-5-3-2-4-6-11)18-13-9-10(14)7-8-12(13)15/h2-9H,1H3
InChIKey
CTFGBIJKVBZCHE-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.9823 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98958 163.5
[M+Na]+ 338.97152 173.7
[M-H]- 314.97502 169.2
[M+NH4]+ 334.01612 180.2
[M+K]+ 354.94546 168.5
[M+H-H2O]+ 298.97956 155.7
[M+HCOO]- 360.98050 182.9
[M+CH3COO]- 374.99615 202.1
[M+Na-2H]- 336.95697 166.7
[M]+ 315.98175 170.8
[M]- 315.98285 170.8
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

No patent data available for this compound.