CID 4868355

2-chloro-1-(2,3-dihydro-1h-inden-5-yl)ethan-1-one

Structural Information

Molecular Formula
C11H11ClO
SMILES
C1CC2=C(C1)C=C(C=C2)C(=O)CCl
InChI
InChI=1S/C11H11ClO/c12-7-11(13)10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2
InChIKey
OJAALMGLOFSSHR-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,3-dihydro-1H-inden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04984 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05712 141.3
[M+Na]+ 217.03906 150.0
[M-H]- 193.04256 145.6
[M+NH4]+ 212.08366 164.5
[M+K]+ 233.01300 145.5
[M+H-H2O]+ 177.04710 136.7
[M+HCOO]- 239.04804 159.2
[M+CH3COO]- 253.06369 182.1
[M+Na-2H]- 215.02451 145.6
[M]+ 194.04929 142.5
[M]- 194.05039 142.5
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

patents stripe