CID 346725

Bis(4-chlorophenyl) carbonate

Structural Information

Molecular Formula
C13H8Cl2O3
SMILES
C1=CC(=CC=C1OC(=O)OC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2O3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H
InChIKey
FSTRGOSTJXVFGV-UHFFFAOYSA-N
Compound name
bis(4-chlorophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3218
Patents

281.98505 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99233 155.0
[M+Na]+ 304.97427 165.2
[M-H]- 280.97777 161.6
[M+NH4]+ 300.01887 172.3
[M+K]+ 320.94821 160.1
[M+H-H2O]+ 264.98231 149.4
[M+HCOO]- 326.98325 170.0
[M+CH3COO]- 340.99890 194.4
[M+Na-2H]- 302.95972 159.9
[M]+ 281.98450 160.9
[M]- 281.98560 160.9
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

patents stripe