CID 101293495

1,3-dibromo-5-pentoxybenzene

Structural Information

Molecular Formula
C11H14Br2O
SMILES
CCCCCOC1=CC(=CC(=C1)Br)Br
InChI
InChI=1S/C11H14Br2O/c1-2-3-4-5-14-11-7-9(12)6-10(13)8-11/h6-8H,2-5H2,1H3
InChIKey
KEOSYTVJONKJRL-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-pentoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.94113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.94841 148.3
[M+Na]+ 342.93035 158.8
[M-H]- 318.93385 154.9
[M+NH4]+ 337.97495 167.2
[M+K]+ 358.90429 143.3
[M+H-H2O]+ 302.93839 156.2
[M+HCOO]- 364.93933 164.5
[M+CH3COO]- 378.95498 207.7
[M+Na-2H]- 340.91580 154.8
[M]+ 319.94058 184.3
[M]- 319.94168 184.3
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.