CID 95170

5436-43-1

Structural Information

Molecular Formula
C12H6Br4O
SMILES
C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
InChIKey
XYBSIYMGXVUVGY-UHFFFAOYSA-N
Compound name
2,4-dibromo-1-(2,4-dibromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

894
References

304
Patents

481.7152 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.72248 154.9
[M+Na]+ 504.70442 160.9
[M-H]- 480.70792 160.1
[M+NH4]+ 499.74902 164.7
[M+K]+ 520.67836 148.7
[M+H-H2O]+ 464.71246 173.3
[M+HCOO]- 526.71340 161.0
[M+CH3COO]- 540.72905 238.2
[M+Na-2H]- 502.68987 157.5
[M]+ 481.71465 193.9
[M]- 481.71575 193.9
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