CID 156703

3-(2-phenylethenyl)phenol

Structural Information

Molecular Formula
C14H12O
SMILES
C1=CC=C(C=C1)C=CC2=CC(=CC=C2)O
InChI
InChI=1S/C14H12O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11,15H
InChIKey
XBHJTSIYYWRJFQ-UHFFFAOYSA-N
Compound name
3-(2-phenylethenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

183
Patents

196.08882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09610 142.1
[M+Na]+ 219.07804 149.7
[M-H]- 195.08154 147.6
[M+NH4]+ 214.12264 160.7
[M+K]+ 235.05198 144.9
[M+H-H2O]+ 179.08608 135.5
[M+HCOO]- 241.08702 165.5
[M+CH3COO]- 255.10267 181.1
[M+Na-2H]- 217.06349 149.2
[M]+ 196.08827 140.4
[M]- 196.08937 140.4
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