CID 45050491

Akos024340219

Structural Information

Molecular Formula
C14H9Cl3O3
SMILES
C1=CC=C(C(=C1)C(OC(=O)OC2=CC=CC=C2Cl)Cl)Cl
InChI
InChI=1S/C14H9Cl3O3/c15-10-6-2-1-5-9(10)13(17)20-14(18)19-12-8-4-3-7-11(12)16/h1-8,13H
InChIKey
NBFIVZDQLDUXMW-UHFFFAOYSA-N
Compound name
[chloro-(2-chlorophenyl)methyl] (2-chlorophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.96173 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.96901 163.8
[M+Na]+ 352.95095 173.1
[M-H]- 328.95445 169.0
[M+NH4]+ 347.99555 179.1
[M+K]+ 368.92489 167.6
[M+H-H2O]+ 312.95899 158.8
[M+HCOO]- 374.95993 172.1
[M+CH3COO]- 388.97558 203.1
[M+Na-2H]- 350.93640 166.1
[M]+ 329.96118 169.8
[M]- 329.96228 169.8
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.