CID 73864

Bisphenol af

Structural Information

Molecular Formula
C15H10F6O2
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
InChIKey
ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
Compound name
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

254
References

28700
Patents

336.0585 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06578 169.3
[M+Na]+ 359.04772 178.1
[M-H]- 335.05122 166.2
[M+NH4]+ 354.09232 181.5
[M+K]+ 375.02166 172.3
[M+H-H2O]+ 319.05576 158.3
[M+HCOO]- 381.05670 179.4
[M+CH3COO]- 395.07235 203.2
[M+Na-2H]- 357.03317 173.4
[M]+ 336.05795 159.7
[M]- 336.05905 159.7
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