CID 3088248

Alpha-(4-fluorophenyl)-alpha-methyl-2-benzofuranmethanol

Structural Information

Molecular Formula
C16H13FO2
SMILES
CC(C1=CC=C(C=C1)F)(C2=CC3=CC=CC=C3O2)O
InChI
InChI=1S/C16H13FO2/c1-16(18,12-6-8-13(17)9-7-12)15-10-11-4-2-3-5-14(11)19-15/h2-10,18H,1H3
InChIKey
HMUFYFYEEQTFJR-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-2-yl)-1-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08997 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09725 154.8
[M+Na]+ 279.07919 165.0
[M-H]- 255.08269 161.6
[M+NH4]+ 274.12379 172.9
[M+K]+ 295.05313 161.2
[M+H-H2O]+ 239.08723 148.1
[M+HCOO]- 301.08817 176.0
[M+CH3COO]- 315.10382 168.2
[M+Na-2H]- 277.06464 162.3
[M]+ 256.08942 156.6
[M]- 256.09052 156.6
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.