CID 4623269

8-chloro-2-tetralone

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

101
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 132.7
[M+Na]+ 203.02342 148.0
[M+NH4]+ 198.06802 143.6
[M+K]+ 218.99736 139.5
[M-H]- 179.02692 136.5
[M+Na-2H]- 201.00887 140.4
[M]+ 180.03365 136.4
[M]- 180.03475 136.4
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

patents stripe