CID 256677

7-chloro-1-tetralone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

348
Patents

180.0342 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe