CID 3018924

3-(3,4-dichlorophenyl)indan-1-one

Structural Information

Molecular Formula
C15H10Cl2O
SMILES
C1C(C2=CC=CC=C2C1=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2O/c16-13-6-5-9(7-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2
InChIKey
KNKXPMHZNDQQHO-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

276.01086 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01814 160.2
[M+Na]+ 299.00008 172.1
[M-H]- 275.00358 167.7
[M+NH4]+ 294.04468 181.0
[M+K]+ 314.97402 164.4
[M+H-H2O]+ 259.00812 155.1
[M+HCOO]- 321.00906 174.0
[M+CH3COO]- 335.02471 173.4
[M+Na-2H]- 296.98553 162.7
[M]+ 276.01031 163.5
[M]- 276.01141 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe