CID 1538533

4-(1-phenylcyclopentyl)phenol

Structural Information

Molecular Formula
C17H18O
SMILES
C1CCC(C1)(C2=CC=CC=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H18O/c18-16-10-8-15(9-11-16)17(12-4-5-13-17)14-6-2-1-3-7-14/h1-3,6-11,18H,4-5,12-13H2
InChIKey
PNYGZLDEFPPDPC-UHFFFAOYSA-N
Compound name
4-(1-phenylcyclopentyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

238.13577 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.143046 155.9
[M+Na]+ 261.124988 162.1
[M-H]- 237.128494 164.2
[M+NH4]+ 256.169593 176.1
[M+K]+ 277.098928 157.1
[M+H-H2O]+ 221.133030 148.7
[M+HCOO]- 283.133971 177.5
[M+CH3COO]- 297.149621 168.1
[M+Na-2H]- 259.110436 159.9
[M]+ 238.13522142 151.6
[M]- 238.13631858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe