CID 656687

Dibromobisphenol a

Structural Information

Molecular Formula
C15H14Br2O2
SMILES
CC(C)(C1=CC(=C(C=C1)O)Br)C2=CC(=C(C=C2)O)Br
InChI
InChI=1S/C15H14Br2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
InChIKey
CKNCVRMXCLUOJI-UHFFFAOYSA-N
Compound name
2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10053
Patents

383.93604 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.94332 166.7
[M+Na]+ 406.92526 162.7
[M+NH4]+ 401.96986 168.4
[M+K]+ 422.89920 168.6
[M-H]- 382.92876 168.1
[M+Na-2H]- 404.91071 168.6
[M]+ 383.93549 165.6
[M]- 383.93659 165.6
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