CID 4120165

1,2,4,5-tetrabromo-3,6-diethoxy-benzene

Structural Information

Molecular Formula
C10H10Br4O2
SMILES
CCOC1=C(C(=C(C(=C1Br)Br)OCC)Br)Br
InChI
InChI=1S/C10H10Br4O2/c1-3-15-9-5(11)7(13)10(16-4-2)8(14)6(9)12/h3-4H2,1-2H3
InChIKey
KDBXBDJBNVOFKX-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrabromo-3,6-diethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.74142 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.74870 152.0
[M+Na]+ 500.73064 158.6
[M-H]- 476.73414 156.2
[M+NH4]+ 495.77524 162.0
[M+K]+ 516.70458 145.5
[M+H-H2O]+ 460.73868 169.6
[M+HCOO]- 522.73962 157.8
[M+CH3COO]- 536.75527 238.8
[M+Na-2H]- 498.71609 154.1
[M]+ 477.74087 191.8
[M]- 477.74197 191.8
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.