CID 12291149

26673-31-4

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1CC2=C(C=CC(=C2)Cl)C(=O)C1
InChI
InChI=1S/C10H9ClO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
InChIKey
WQKHERPPDYPMNX-UHFFFAOYSA-N
Compound name
6-chloro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2110
Patents

180.0342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.041476 133.2
[M+Na]+ 203.023418 142.6
[M-H]- 179.026924 137.7
[M+NH4]+ 198.068023 155.5
[M+K]+ 218.997358 138.2
[M+H-H2O]+ 163.031460 128.7
[M+HCOO]- 225.032401 150.4
[M+CH3COO]- 239.048051 179.7
[M+Na-2H]- 201.008866 140.4
[M]+ 180.03365142 133.0
[M]- 180.03474858 133.0
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