CID 4623269

8-chloro-1,2,3,4-tetrahydronaphthalen-2-one

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1CC2=C(CC1=O)C(=CC=C2)Cl
InChI
InChI=1S/C10H9ClO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3H,4-6H2
InChIKey
ZBLPUKDWONQIMX-UHFFFAOYSA-N
Compound name
8-chloro-3,4-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

180.0342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 133.2
[M+Na]+ 203.02342 142.6
[M-H]- 179.02692 137.7
[M+NH4]+ 198.06802 155.5
[M+K]+ 218.99736 138.2
[M+H-H2O]+ 163.03146 128.7
[M+HCOO]- 225.03240 150.4
[M+CH3COO]- 239.04805 179.7
[M+Na-2H]- 201.00887 140.4
[M]+ 180.03365 133.0
[M]- 180.03475 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