CID 3025053

97890-18-1

Structural Information

Molecular Formula
C14H10Br4O6
SMILES
C1C(O1)COC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)OCC3CO3
InChI
InChI=1S/C14H10Br4O6/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
FQFKYMNKPKSKMX-UHFFFAOYSA-N
Compound name
bis(oxiran-2-ylmethyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

589.72107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.72835 182.0
[M+Na]+ 612.71029 187.5
[M-H]- 588.71379 187.8
[M+NH4]+ 607.75489 185.5
[M+K]+ 628.68423 176.8
[M+H-H2O]+ 572.71833 195.5
[M+HCOO]- 634.71927 185.3
[M+CH3COO]- 648.73492 245.8
[M+Na-2H]- 610.69574 180.4
[M]+ 589.72052 216.6
[M]- 589.72162 216.6
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