CID 3059017

75990-56-6

Structural Information

Molecular Formula
C17H16Cl2O2
SMILES
CC(C)(C(C1=C(C=C(C=C1)Cl)Cl)O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16Cl2O2/c1-17(2,15(20)11-6-4-3-5-7-11)16(21)13-9-8-12(18)10-14(13)19/h3-10,16,21H,1-2H3
InChIKey
ANWJELNIJWTBOC-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.05273 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06001 169.0
[M+Na]+ 345.04195 177.1
[M-H]- 321.04545 174.0
[M+NH4]+ 340.08655 184.0
[M+K]+ 361.01589 170.6
[M+H-H2O]+ 305.04999 163.9
[M+HCOO]- 367.05093 178.5
[M+CH3COO]- 381.06658 204.1
[M+Na-2H]- 343.02740 171.1
[M]+ 322.05218 172.4
[M]- 322.05328 172.4
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.