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
6
Annotation Hits

924
References

65397
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 168.0
[M+Na]+ 562.74632 163.1
[M+NH4]+ 557.79092 168.8
[M+K]+ 578.72026 169.1
[M-H]- 538.74982 170.0
[M+Na-2H]- 560.73177 168.9
[M]+ 539.75655 168.3
[M]- 539.75765 168.3
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