CID 4382161

91634-71-8

Structural Information

Molecular Formula
C11H6Cl4O
SMILES
C1=CC=C2C(=C1)C(C(C2=O)Cl)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C11H6Cl4O/c12-8-7(9(13)11(14)15)5-3-1-2-4-6(5)10(8)16/h1-4,7-8H
InChIKey
QEJHEAITLJQAKW-UHFFFAOYSA-N
Compound name
2-chloro-3-(1,2,2-trichloroethenyl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.91727 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.92455 161.4
[M+Na]+ 316.90649 171.5
[M-H]- 292.90999 162.6
[M+NH4]+ 311.95109 180.4
[M+K]+ 332.88043 164.3
[M+H-H2O]+ 276.91453 158.9
[M+HCOO]- 338.91547 162.2
[M+CH3COO]- 352.93112 199.4
[M+Na-2H]- 314.89194 159.8
[M]+ 293.91672 162.2
[M]- 293.91782 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

No patent data available for this compound.