CID 231507

2-chloro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H13ClO
SMILES
C1CCC2=C(C1)C=CC(=C2)C(=O)CCl
InChI
InChI=1S/C12H13ClO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h5-7H,1-4,8H2
InChIKey
YPJVCMUNCFFQKH-UHFFFAOYSA-N
Compound name
2-chloro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.06549 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07277 143.1
[M+Na]+ 231.05471 150.4
[M-H]- 207.05821 146.9
[M+NH4]+ 226.09931 163.8
[M+K]+ 247.02865 145.8
[M+H-H2O]+ 191.06275 138.0
[M+HCOO]- 253.06369 158.6
[M+CH3COO]- 267.07934 185.4
[M+Na-2H]- 229.04016 148.6
[M]+ 208.06494 142.6
[M]- 208.06604 142.6
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