CID 113467

97890-17-0

Structural Information

Molecular Formula
C14H10Cl4O6
SMILES
C1C(O1)COC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)OCC3CO3
InChI
InChI=1S/C14H10Cl4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6H,1-4H2
InChIKey
QSDWFFRGNSHCEP-UHFFFAOYSA-N
Compound name
bis(oxiran-2-ylmethyl) 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

413.92316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.93044 169.6
[M+Na]+ 436.91238 177.1
[M-H]- 412.91588 176.5
[M+NH4]+ 431.95698 169.9
[M+K]+ 452.88632 175.7
[M+H-H2O]+ 396.92042 165.1
[M+HCOO]- 458.92136 169.8
[M+CH3COO]- 472.93701 224.7
[M+Na-2H]- 434.89783 168.1
[M]+ 413.92261 181.2
[M]- 413.92371 181.2
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