CID 2777825

Chloromethyl (4-chlorophenyl) carbonate

Structural Information

Molecular Formula
C8H6Cl2O3
SMILES
C1=CC(=CC=C1OC(=O)OCCl)Cl
InChI
InChI=1S/C8H6Cl2O3/c9-5-12-8(11)13-7-3-1-6(10)2-4-7/h1-4H,5H2
InChIKey
SYPJPQUKKYSYEQ-UHFFFAOYSA-N
Compound name
chloromethyl (4-chlorophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.9694 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.976676 137.9
[M+Na]+ 242.958618 147.9
[M-H]- 218.962124 141.4
[M+NH4]+ 238.003223 157.8
[M+K]+ 258.932558 144.3
[M+H-H2O]+ 202.966660 134.1
[M+HCOO]- 264.967601 153.2
[M+CH3COO]- 278.983251 182.7
[M+Na-2H]- 240.944066 143.7
[M]+ 219.96885142 143.7
[M]- 219.96994858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.