CID 95871

Bis(2,4-dichlorophenyl) carbonate

Structural Information

Molecular Formula
C13H6Cl4O3
SMILES
C1=CC(=C(C=C1Cl)Cl)OC(=O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H6Cl4O3/c14-7-1-3-11(9(16)5-7)19-13(18)20-12-4-2-8(15)6-10(12)17/h1-6H
InChIKey
HBLSZXRYFSCREB-UHFFFAOYSA-N
Compound name
bis(2,4-dichlorophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

666
Patents

349.9071 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.91438 165.3
[M+Na]+ 372.89632 176.3
[M-H]- 348.89982 169.3
[M+NH4]+ 367.94092 180.0
[M+K]+ 388.87026 170.7
[M+H-H2O]+ 332.90436 161.3
[M+HCOO]- 394.90530 169.1
[M+CH3COO]- 408.92095 207.1
[M+Na-2H]- 370.88177 166.5
[M]+ 349.90655 171.2
[M]- 349.90765 171.2
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

patents stripe