CID 80630

4-phenethylphenol

Structural Information

Molecular Formula
C14H14O
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)O
InChI
InChI=1S/C14H14O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,15H,6-7H2
InChIKey
YTLSTADDHMJUMW-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

941
Patents

198.10446 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 143.1
[M+Na]+ 221.09368 150.3
[M-H]- 197.09718 148.5
[M+NH4]+ 216.13828 161.6
[M+K]+ 237.06762 146.0
[M+H-H2O]+ 181.10172 136.3
[M+HCOO]- 243.10266 166.3
[M+CH3COO]- 257.11831 182.6
[M+Na-2H]- 219.07913 150.1
[M]+ 198.10391 142.1
[M]- 198.10501 142.1
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