CID 3022861

7-chloro-1,1-dimethylindan-4-ol

Structural Information

Molecular Formula

C₁₁H₁₃ClO

SMILES

CC1(CCC2=C(C=CC(=C21)Cl)O)C

InChI

InChI=1S/C11H13ClO/c1-11(2)6-5-7-9(13)4-3-8(12)10(7)11/h3-4,13H,5-6H2,1-2H3

InChIKey

KZOVKESZCFEXNY-UHFFFAOYSA-N

Compound name

7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.06549 Da
Monoisotopic Mass: 3.9
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]+	197.072766	140.1
[M+Na]+	219.054708	151.3
[M-H]-	195.058214	144.1
[M+NH4]+	214.099313	165.4
[M+K]+	235.028648	146.1
[M+H-H2O]+	179.062750	137.1
[M+HCOO]-	241.063691	157.4
[M+CH3COO]-	255.079341	181.3
[M+Na-2H]-	217.040156	145.1
[M]+	196.06494142	141.8
[M]-	196.06603858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe