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
4
Annotation Hits

22
References

9403
Patents

184.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.096096 138.4
[M+Na]+ 207.078038 146.1
[M-H]- 183.081544 144.0
[M+NH4]+ 202.122643 157.5
[M+K]+ 223.051978 142.0
[M+H-H2O]+ 167.086080 131.9
[M+HCOO]- 229.087021 162.0
[M+CH3COO]- 243.102671 179.6
[M+Na-2H]- 205.063486 146.0
[M]+ 184.08827142 137.1
[M]- 184.08936858 137.1
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