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]+ 209.072766 143.1
[M+Na]+ 231.054708 150.4
[M-H]- 207.058214 146.9
[M+NH4]+ 226.099313 163.8
[M+K]+ 247.028648 145.8
[M+H-H2O]+ 191.062750 138.0
[M+HCOO]- 253.063691 158.6
[M+CH3COO]- 267.079341 185.4
[M+Na-2H]- 229.040156 148.6
[M]+ 208.06494142 142.6
[M]- 208.06603858 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