CID 82006

Decachlorodiphenyl carbonate

Structural Information

Molecular Formula
C13Cl10O3
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)OC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13Cl10O3/c14-1-3(16)7(20)11(8(21)4(1)17)25-13(24)26-12-9(22)5(18)2(15)6(19)10(12)23
InChIKey
XXTXONAHTURMCQ-UHFFFAOYSA-N
Compound name
bis(2,3,4,5,6-pentachlorophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

553.6733 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.68058 218.7
[M+Na]+ 576.66252 221.2
[M-H]- 552.66602 208.1
[M+NH4]+ 571.70712 219.6
[M+K]+ 592.63646 224.4
[M+H-H2O]+ 536.67056 214.9
[M+HCOO]- 598.67150 195.3
[M+CH3COO]- 612.68715 241.5
[M+Na-2H]- 574.64797 204.2
[M]+ 553.67275 206.6
[M]- 553.67385 206.6
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