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]+ 498.71742 157.6
[M+Na]+ 520.69936 163.2
[M-H]- 496.70286 161.8
[M+NH4]+ 515.74396 166.5
[M+K]+ 536.67330 150.4
[M+H-H2O]+ 480.70740 175.3
[M+HCOO]- 542.70834 162.3
[M+CH3COO]- 556.72399 238.1
[M+Na-2H]- 518.68481 158.9
[M]+ 497.70959 195.7
[M]- 497.71069 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