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
8
Annotation Hits

256
References

27087
Patents

336.0585 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.065776 169.3
[M+Na]+ 359.047718 178.1
[M-H]- 335.051224 166.2
[M+NH4]+ 354.092323 181.5
[M+K]+ 375.021658 172.3
[M+H-H2O]+ 319.055760 158.3
[M+HCOO]- 381.056701 179.4
[M+CH3COO]- 395.072351 203.2
[M+Na-2H]- 357.033166 173.4
[M]+ 336.05795142 159.7
[M]- 336.05904858 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