CID 94633

1,3,5-tribromo-2-(2-bromoethoxy)benzene

Structural Information

Molecular Formula
C8H6Br4O
SMILES
C1=C(C=C(C(=C1Br)OCCBr)Br)Br
InChI
InChI=1S/C8H6Br4O/c9-1-2-13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H2
InChIKey
SSZHXDAHYXHGQY-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-(2-bromoethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

433.7152 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.72248 147.6
[M+Na]+ 456.70442 154.2
[M-H]- 432.70792 151.8
[M+NH4]+ 451.74902 158.2
[M+K]+ 472.67836 141.1
[M+H-H2O]+ 416.71246 165.8
[M+HCOO]- 478.71340 153.7
[M+CH3COO]- 492.72905 235.5
[M+Na-2H]- 454.68987 150.7
[M]+ 433.71465 186.7
[M]- 433.71575 186.7
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