CID 11008611

174603-49-7

Structural Information

Molecular Formula

SMILES

C1CC(=O)C2=C1C(=CC(=C2)Cl)F

InChI

InChI=1S/C9H6ClFO/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2

InChIKey

JVRRTZQZQGXYPJ-UHFFFAOYSA-N

Compound name

6-chloro-4-fluoro-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 184.00912 Da
Monoisotopic Mass: 2.4
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]+	185.01640	132.6
[M+Na]+	206.99834	144.4
[M-H]-	183.00184	136.5
[M+NH4]+	202.04294	156.8
[M+K]+	222.97228	139.5
[M+H-H2O]+	167.00638	127.9
[M+HCOO]-	229.00732	151.1
[M+CH3COO]-	243.02297	180.1
[M+Na-2H]-	204.98379	137.4
[M]+	184.00857	133.4
[M]-	184.00967	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe