CID 93833

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

Structural Information

Molecular Formula
C13H8Br4O2
SMILES
C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Br)Br)O)O)Br)Br
InChI
InChI=1S/C13H8Br4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2
InChIKey
FHTRYIHBMTYTQT-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-[(3,5-dibromo-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
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