CID 162345171

Ns00132982

Structural Information

Molecular Formula
C11H9Cl3O
SMILES
CC1C(C(C2=CC=CC=C2C1=O)(Cl)Cl)Cl
InChI
InChI=1S/C11H9Cl3O/c1-6-9(15)7-4-2-3-5-8(7)11(13,14)10(6)12/h2-6,10H,1H3
InChIKey
HAEKZDXCLAPCRE-UHFFFAOYSA-N
Compound name
3,4,4-trichloro-2-methyl-2,3-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9719 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.979176 148.2
[M+Na]+ 284.961118 160.0
[M-H]- 260.964624 151.5
[M+NH4]+ 280.005723 169.8
[M+K]+ 300.935058 153.5
[M+H-H2O]+ 244.969160 145.8
[M+HCOO]- 306.970101 154.6
[M+CH3COO]- 320.985751 194.5
[M+Na-2H]- 282.946566 152.6
[M]+ 261.97135142 150.4
[M]- 261.97244858 150.4
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.