CID 24216

2-benzylphenol

Structural Information

Molecular Formula
C13H12O
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2O
InChI
InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey
CDMGNVWZXRKJNS-UHFFFAOYSA-N
Compound name
2-benzylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

7412
Patents

184.08882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09610 138.4
[M+Na]+ 207.07804 146.1
[M-H]- 183.08154 144.0
[M+NH4]+ 202.12264 157.5
[M+K]+ 223.05198 142.0
[M+H-H2O]+ 167.08608 131.9
[M+HCOO]- 229.08702 162.0
[M+CH3COO]- 243.10267 179.6
[M+Na-2H]- 205.06349 146.0
[M]+ 184.08827 137.1
[M]- 184.08937 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