CID 91618784

1260018-63-0

Structural Information

Molecular Formula

SMILES

C1CC(=O)C2=C(C=CC(=C21)Cl)F

InChI

InChI=1S/C9H6ClFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2

InChIKey

GOQJQZXYADJAQA-UHFFFAOYSA-N

Compound name

4-chloro-7-fluoro-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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]+	185.016396	132.6
[M+Na]+	206.998338	144.4
[M-H]-	183.001844	136.5
[M+NH4]+	202.042943	156.8
[M+K]+	222.972278	139.5
[M+H-H2O]+	167.006380	127.9
[M+HCOO]-	229.007321	151.1
[M+CH3COO]-	243.022971	180.1
[M+Na-2H]-	204.983786	137.4
[M]+	184.00857142	133.4
[M]-	184.00966858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe