CID 2783450

15781-70-1

Structural Information

Molecular Formula
C15H6Cl6O4
SMILES
C1=C(C=C(C(=C1Cl)OC(=O)CC(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H6Cl6O4/c16-6-1-8(18)14(9(19)2-6)24-12(22)5-13(23)25-15-10(20)3-7(17)4-11(15)21/h1-4H,5H2
InChIKey
WYPCGKBOSFOHGU-UHFFFAOYSA-N
Compound name
bis(2,4,6-trichlorophenyl) propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

459.83972 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.84700 185.5
[M+Na]+ 482.82894 194.5
[M-H]- 458.83244 185.4
[M+NH4]+ 477.87354 194.7
[M+K]+ 498.80288 190.9
[M+H-H2O]+ 442.83698 182.5
[M+HCOO]- 504.83792 177.7
[M+CH3COO]- 518.85357 226.7
[M+Na-2H]- 480.81439 180.6
[M]+ 459.83917 188.7
[M]- 459.84027 188.7
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

patents stripe