CID 5156492

1,4-dibromo-2,5-bis(decyloxy)benzene

Structural Information

Molecular Formula
C26H44Br2O2
SMILES
CCCCCCCCCCOC1=CC(=C(C=C1Br)OCCCCCCCCCC)Br
InChI
InChI=1S/C26H44Br2O2/c1-3-5-7-9-11-13-15-17-19-29-25-21-24(28)26(22-23(25)27)30-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKey
JFMBJLMINSDIQC-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,5-didecoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

546.17084 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.17812 210.4
[M+Na]+ 569.16006 216.0
[M-H]- 545.16356 214.6
[M+NH4]+ 564.20466 221.9
[M+K]+ 585.13400 197.9
[M+H-H2O]+ 529.16810 215.1
[M+HCOO]- 591.16904 222.1
[M+CH3COO]- 605.18469 243.4
[M+Na-2H]- 567.14551 208.9
[M]+ 546.17029 251.2
[M]- 546.17139 251.2
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