CID 89069

4,4'-methylenebis(2,6-dibromophenol)

Structural Information

Molecular Formula
C13H8Br4O2
SMILES
C1=C(C=C(C(=C1Br)O)Br)CC2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C13H8Br4O2/c14-8-2-6(3-9(15)12(8)18)1-7-4-10(16)13(19)11(17)5-7/h2-5,18-19H,1H2
InChIKey
WPZJSWWEEJJSIZ-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2886
Patents

511.72577 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.73305 159.9
[M+Na]+ 534.71499 165.4
[M-H]- 510.71849 164.1
[M+NH4]+ 529.75959 168.6
[M+K]+ 550.68893 152.5
[M+H-H2O]+ 494.72303 177.6
[M+HCOO]- 556.72397 164.5
[M+CH3COO]- 570.73962 239.1
[M+Na-2H]- 532.70044 161.0
[M]+ 511.72522 198.2
[M]- 511.72632 198.2
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