CID 102198079

Ns00001441

Structural Information

Molecular Formula
C18H16Br4O2
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)OCC=C)Br
InChI
InChI=1S/C18H16Br4O2/c1-4-5-24-17-14(21)8-11(9-15(17)22)18(2,3)10-6-12(19)16(23)13(20)7-10/h4,6-9,23H,1,5H2,2-3H3
InChIKey
HFVNWWDHRKGHJP-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.7884 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.79568 175.7
[M+Na]+ 602.77762 180.8
[M-H]- 578.78112 180.0
[M+NH4]+ 597.82222 183.6
[M+K]+ 618.75156 167.7
[M+H-H2O]+ 562.78566 192.9
[M+HCOO]- 624.78660 179.5
[M+CH3COO]- 638.80225 244.4
[M+Na-2H]- 600.76307 175.4
[M]+ 579.78785 214.4
[M]- 579.78895 214.4
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.