CID 13742915

Bis(4-hydroxy-3,5-dimethylphenyl)methanone

Structural Information

Molecular Formula
C17H18O3
SMILES
CC1=CC(=CC(=C1O)C)C(=O)C2=CC(=C(C(=C2)C)O)C
InChI
InChI=1S/C17H18O3/c1-9-5-13(6-10(2)15(9)18)17(20)14-7-11(3)16(19)12(4)8-14/h5-8,18-19H,1-4H3
InChIKey
JWAPUVVSOVJCJB-UHFFFAOYSA-N
Compound name
bis(4-hydroxy-3,5-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1198
Patents

270.12558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 160.3
[M+Na]+ 293.11480 170.1
[M-H]- 269.11830 165.8
[M+NH4]+ 288.15940 176.4
[M+K]+ 309.08874 165.9
[M+H-H2O]+ 253.12284 154.0
[M+HCOO]- 315.12378 180.4
[M+CH3COO]- 329.13943 199.6
[M+Na-2H]- 291.10025 160.5
[M]+ 270.12503 162.2
[M]- 270.12613 162.2
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