CID 345011

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

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1CC2=CC=CC=C2C(=O)C1Cl
InChI
InChI=1S/C10H9ClO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9H,5-6H2
InChIKey
COUZZRHRWFDSCY-UHFFFAOYSA-N
Compound name
2-chloro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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

literature stripe

Patent stripe

patents stripe