CID 3059016

75990-55-5

Structural Information

Molecular Formula
C17H17ClO2
SMILES
CC(C)(C(C1=CC=CC=C1Cl)O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H17ClO2/c1-17(2,15(19)12-8-4-3-5-9-12)16(20)13-10-6-7-11-14(13)18/h3-11,16,20H,1-2H3
InChIKey
DMVGZLXFGBUKJK-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0917 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09898 164.5
[M+Na]+ 311.08092 171.3
[M-H]- 287.08442 169.7
[M+NH4]+ 306.12552 180.1
[M+K]+ 327.05486 166.0
[M+H-H2O]+ 271.08896 158.5
[M+HCOO]- 333.08990 179.0
[M+CH3COO]- 347.10555 198.6
[M+Na-2H]- 309.06637 167.8
[M]+ 288.09115 166.0
[M]- 288.09225 166.0
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.