CID 110990

7415-86-3

Structural Information

Molecular Formula
C14H14Br4O4
SMILES
C1=CC=C(C(=C1)C(=O)OCC(CBr)Br)C(=O)OCC(CBr)Br
InChI
InChI=1S/C14H14Br4O4/c15-5-9(17)7-21-13(19)11-3-1-2-4-12(11)14(20)22-8-10(18)6-16/h1-4,9-10H,5-8H2
InChIKey
IVARTEJQLIMVJT-UHFFFAOYSA-N
Compound name
bis(2,3-dibromopropyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

561.7626 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.76988 171.4
[M+Na]+ 584.75182 175.6
[M-H]- 560.75532 174.7
[M+NH4]+ 579.79642 179.4
[M+K]+ 600.72576 162.6
[M+H-H2O]+ 544.75986 188.3
[M+HCOO]- 606.76080 175.2
[M+CH3COO]- 620.77645 242.4
[M+Na-2H]- 582.73727 170.8
[M]+ 561.76205 210.4
[M]- 561.76315 210.4
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