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

7
Patents

396.26645 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.273726 203.6
[M+Na]+ 419.255668 206.0
[M-H]- 395.259174 206.8
[M+NH4]+ 414.300273 213.7
[M+K]+ 435.229608 200.1
[M+H-H2O]+ 379.263710 193.9
[M+HCOO]- 441.264651 222.0
[M+CH3COO]- 455.280301 223.5
[M+Na-2H]- 417.241116 201.9
[M]+ 396.26590142 208.5
[M]- 396.26699858 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