CID 6618

Tetrabromobisphenol a

Structural Information

Molecular Formula
C15H12Br4O2
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKey
VEORPZCZECFIRK-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

936
References

64458
Patents

539.7571 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.76438 171.0
[M+Na]+ 562.74632 176.2
[M-H]- 538.74982 175.0
[M+NH4]+ 557.79092 179.3
[M+K]+ 578.72026 163.2
[M+H-H2O]+ 522.75436 188.3
[M+HCOO]- 584.75530 174.6
[M+CH3COO]- 598.77095 241.1
[M+Na-2H]- 560.73177 171.1
[M]+ 539.75655 209.0
[M]- 539.75765 209.0
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.