CID 116881

70776-34-0

Structural Information

Molecular Formula
C16H26Br4O6
SMILES
C(CCC(=O)OCC(CO)(CBr)CBr)CC(=O)OCC(CO)(CBr)CBr
InChI
InChI=1S/C16H26Br4O6/c17-5-15(6-18,9-21)11-25-13(23)3-1-2-4-14(24)26-12-16(7-19,8-20)10-22/h21-22H,1-12H2
InChIKey
IARXWGVDGXWFPU-UHFFFAOYSA-N
Compound name
bis[2,2-bis(bromomethyl)-3-hydroxypropyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.8463 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.85358 172.1
[M+Na]+ 652.83552 166.3
[M+NH4]+ 647.88012 172.3
[M+K]+ 668.80946 172.4
[M-H]- 628.83902 173.2
[M+Na-2H]- 650.82097 172.0
[M]+ 629.84575 171.9
[M]- 629.84685 171.9
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

No patent data available for this compound.