CID 102218

2-hydroxy-4-decyloxybenzophenone

Structural Information

Molecular Formula
C23H30O3
SMILES
CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-12-17-26-20-15-16-21(22(24)18-20)23(25)19-13-10-9-11-14-19/h9-11,13-16,18,24H,2-8,12,17H2,1H3
InChIKey
JQSSXIRDGUMPNP-UHFFFAOYSA-N
Compound name
(4-decoxy-2-hydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

420
Patents

354.21948 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.226756 190.1
[M+Na]+ 377.208698 193.8
[M-H]- 353.212204 194.0
[M+NH4]+ 372.253303 202.0
[M+K]+ 393.182638 188.6
[M+H-H2O]+ 337.216740 181.1
[M+HCOO]- 399.217681 209.6
[M+CH3COO]- 413.233331 214.7
[M+Na-2H]- 375.194146 190.0
[M]+ 354.21893142 194.0
[M]- 354.22002858 194.0
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