CID 71743952

5-chloro-4-fluoro-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H6ClFO
SMILES
C1CC(=O)C2=C1C(=C(C=C2)Cl)F
InChI
InChI=1S/C9H6ClFO/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
InChIKey
VRURYMJQFZRENG-UHFFFAOYSA-N
Compound name
5-chloro-4-fluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.00912 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe