CID 6801

2,2'-dihydroxy-4-octyloxybenzophenone

Structural Information

Molecular Formula
C21H26O4
SMILES
CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C21H26O4/c1-2-3-4-5-6-9-14-25-16-12-13-18(20(23)15-16)21(24)17-10-7-8-11-19(17)22/h7-8,10-13,15,22-23H,2-6,9,14H2,1H3
InChIKey
XRCGPZWJUXJKJF-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-octoxyphenyl)-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

404
Patents

342.1831 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19038 183.8
[M+Na]+ 365.17232 188.8
[M-H]- 341.17582 187.2
[M+NH4]+ 360.21692 195.7
[M+K]+ 381.14626 184.0
[M+H-H2O]+ 325.18036 175.5
[M+HCOO]- 387.18130 202.7
[M+CH3COO]- 401.19695 209.7
[M+Na-2H]- 363.15777 183.8
[M]+ 342.18255 187.1
[M]- 342.18365 187.1
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

No patent data available for this compound.