CID 64905270

1-(3-chloro-4-fluorophenyl)-2-cyclopropylethan-1-one

Structural Information

Molecular Formula
C11H10ClFO
SMILES
C1CC1CC(=O)C2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C11H10ClFO/c12-9-6-8(3-4-10(9)13)11(14)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKey
HQXXFOQVKHHUGY-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-2-cyclopropylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.04042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04770 136.5
[M+Na]+ 235.02964 147.2
[M-H]- 211.03314 142.8
[M+NH4]+ 230.07424 151.5
[M+K]+ 251.00358 142.2
[M+H-H2O]+ 195.03768 129.9
[M+HCOO]- 257.03862 154.9
[M+CH3COO]- 271.05427 189.7
[M+Na-2H]- 233.01509 140.9
[M]+ 212.03987 139.9
[M]- 212.04097 139.9
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

No patent data available for this compound.