CID 3041919

Tetrabrom-p-biphenol

Structural Information

Molecular Formula
C12H6Br4O2
SMILES
C1=CC(=CC=C1C2=C(C(=C(C(=C2Br)Br)O)Br)Br)O
InChI
InChI=1S/C12H6Br4O2/c13-8-7(5-1-3-6(17)4-2-5)9(14)11(16)12(18)10(8)15/h1-4,17-18H
InChIKey
VCPOGIZHOKSLGN-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrabromo-4-(4-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

497.71014 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.717416 157.6
[M+Na]+ 520.699358 163.2
[M-H]- 496.702864 161.8
[M+NH4]+ 515.743963 166.5
[M+K]+ 536.673298 150.4
[M+H-H2O]+ 480.707400 175.3
[M+HCOO]- 542.708341 162.3
[M+CH3COO]- 556.723991 238.1
[M+Na-2H]- 518.684806 158.9
[M]+ 497.70959142 195.7
[M]- 497.71068858 195.7
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

patents stripe