CID 7563

4-benzylphenol

Structural Information

Molecular Formula
C13H12O
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)O
InChI
InChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey
HJSPWKGEPDZNLK-UHFFFAOYSA-N
Compound name
4-benzylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

22
References

5920
Patents

184.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09610 139.7
[M+Na]+ 207.07804 155.4
[M+NH4]+ 202.12264 149.8
[M+K]+ 223.05198 146.8
[M-H]- 183.08154 145.1
[M+Na-2H]- 205.06349 150.6
[M]+ 184.08827 143.7
[M]- 184.08937 143.7
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