CID 93939

58085-73-7

Structural Information

Molecular Formula
C22H28O2
SMILES
CCCCCCCCCC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H28O2/c1-2-3-4-5-6-7-9-12-18-15-16-21(23)20(17-18)22(24)19-13-10-8-11-14-19/h8,10-11,13-17,23H,2-7,9,12H2,1H3
InChIKey
BHBZCWUKTDYMJM-UHFFFAOYSA-N
Compound name
(2-hydroxy-5-nonylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

324.20892 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21620 182.9
[M+Na]+ 347.19814 196.2
[M+NH4]+ 342.24274 190.3
[M+K]+ 363.17208 186.9
[M-H]- 323.20164 186.9
[M+Na-2H]- 345.18359 190.1
[M]+ 324.20837 186.0
[M]- 324.20947 186.0
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