CID 11135069

602326-28-3

Structural Information

Molecular Formula
C13H8Br4O2
SMILES
COC1=C(C=CC(=C1Br)OC2=C(C=C(C=C2)Br)Br)Br
InChI
InChI=1S/C13H8Br4O2/c1-18-13-8(15)3-5-11(12(13)17)19-10-4-2-7(14)6-9(10)16/h2-6H,1H3
InChIKey
KPAKJWNZPVGBJO-UHFFFAOYSA-N
Compound name
1,3-dibromo-4-(2,4-dibromophenoxy)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.72577 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.73305 157.7
[M+Na]+ 534.71499 163.5
[M-H]- 510.71849 162.8
[M+NH4]+ 529.75959 167.0
[M+K]+ 550.68893 151.4
[M+H-H2O]+ 494.72303 175.7
[M+HCOO]- 556.72397 163.5
[M+CH3COO]- 570.73962 240.2
[M+Na-2H]- 532.70044 159.7
[M]+ 511.72522 197.2
[M]- 511.72632 197.2
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.