CID 21450348

62854-69-7

Structural Information

Molecular Formula

C₁₁H₁₁ClO₂

SMILES

C1CCC2=C(C1)C=C(C=C2C(=O)O)Cl

InChI

InChI=1S/C11H11ClO2/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h5-6H,1-4H2,(H,13,14)

InChIKey

UIVFBDNXWXLUKU-UHFFFAOYSA-N

Compound name

3-chloro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 210.04475 Da
Monoisotopic Mass: 3.5
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]+	211.052026	141.2
[M+Na]+	233.033968	149.4
[M-H]-	209.037474	144.2
[M+NH4]+	228.078573	161.4
[M+K]+	249.007908	144.8
[M+H-H2O]+	193.042010	136.8
[M+HCOO]-	255.042951	155.8
[M+CH3COO]-	269.058601	183.0
[M+Na-2H]-	231.019416	146.2
[M]+	210.04420142	140.4
[M]-	210.04529858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe