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

24
Patents

238.13577 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14305 155.9
[M+Na]+ 261.12499 162.1
[M-H]- 237.12849 164.2
[M+NH4]+ 256.16959 176.1
[M+K]+ 277.09893 157.1
[M+H-H2O]+ 221.13303 148.7
[M+HCOO]- 283.13397 177.5
[M+CH3COO]- 297.14962 168.1
[M+Na-2H]- 259.11044 159.9
[M]+ 238.13522 151.6
[M]- 238.13632 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