CID 112956

2-hydroxy-4-tridecyloxybenzophenone

Structural Information

Molecular Formula
C26H36O3
SMILES
CCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C26H36O3/c1-2-3-4-5-6-7-8-9-10-11-15-20-29-23-18-19-24(25(27)21-23)26(28)22-16-13-12-14-17-22/h12-14,16-19,21,27H,2-11,15,20H2,1H3
InChIKey
LKDRSVSYCUQEFW-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-tridecoxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

396.26645 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.27373 203.6
[M+Na]+ 419.25567 206.0
[M-H]- 395.25917 206.8
[M+NH4]+ 414.30027 213.7
[M+K]+ 435.22961 200.1
[M+H-H2O]+ 379.26371 193.9
[M+HCOO]- 441.26465 222.0
[M+CH3COO]- 455.28030 223.5
[M+Na-2H]- 417.24112 201.9
[M]+ 396.26590 208.5
[M]- 396.26700 208.5
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