CID 15509895

1,3,5-tribromo-2-(4-bromophenoxy)benzene

Structural Information

Molecular Formula
C12H6Br4O
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2Br)Br)Br)Br
InChI
InChI=1S/C12H6Br4O/c13-7-1-3-9(4-2-7)17-12-10(15)5-8(14)6-11(12)16/h1-6H
InChIKey
BWCNKMFFUGBFGB-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-(4-bromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

481.7152 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.722476 154.9
[M+Na]+ 504.704418 160.9
[M-H]- 480.707924 160.1
[M+NH4]+ 499.749023 164.7
[M+K]+ 520.678358 148.7
[M+H-H2O]+ 464.712460 173.3
[M+HCOO]- 526.713401 161.0
[M+CH3COO]- 540.729051 238.2
[M+Na-2H]- 502.689866 157.5
[M]+ 481.71465142 193.9
[M]- 481.71574858 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