CID 20523639

13099-73-5

Structural Information

Molecular Formula

C₁₁H₁₁ClO

SMILES

CC1(CC2=C(C1=O)C=C(C=C2)Cl)C

InChI

InChI=1S/C11H11ClO/c1-11(2)6-7-3-4-8(12)5-9(7)10(11)13/h3-5H,6H2,1-2H3

InChIKey

XFZYJZIKQGZVES-UHFFFAOYSA-N

Compound name

6-chloro-2,2-dimethyl-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 194.04984 Da
Monoisotopic Mass: 3.2
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]+	195.057116	138.3
[M+Na]+	217.039058	150.2
[M-H]-	193.042564	143.7
[M+NH4]+	212.083663	164.3
[M+K]+	233.012998	145.2
[M+H-H2O]+	177.047100	134.9
[M+HCOO]-	239.048041	157.3
[M+CH3COO]-	253.063691	183.0
[M+Na-2H]-	215.024506	143.8
[M]+	194.04929142	141.1
[M]-	194.05038858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe