CID 12212395

34910-81-1

Structural Information

Molecular Formula

C₁₁H₁₁ClO₂

SMILES

COC1=C2CCCC(=O)C2=C(C=C1)Cl

InChI

InChI=1S/C11H11ClO2/c1-14-10-6-5-8(12)11-7(10)3-2-4-9(11)13/h5-6H,2-4H2,1H3

InChIKey

LRRYWUSMKNJHTH-UHFFFAOYSA-N

Compound name

8-chloro-5-methoxy-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 210.04475 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	211.05203	140.6
[M+Na]+	233.03397	150.4
[M-H]-	209.03747	145.3
[M+NH4]+	228.07857	161.9
[M+K]+	249.00791	146.3
[M+H-H2O]+	193.04201	135.9
[M+HCOO]-	255.04295	157.6
[M+CH3COO]-	269.05860	185.9
[M+Na-2H]-	231.01942	146.5
[M]+	210.04420	142.6
[M]-	210.04530	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe