CID 44472569

178688-43-2

Structural Information

Molecular Formula

C₁₁H₁₀ClFO

SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)Cl

InChI

InChI=1S/C11H10ClFO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2

InChIKey

PUSSGWBQJBLHJL-UHFFFAOYSA-N

Compound name

2-chloro-1-cyclopropyl-2-(2-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 212.04042 Da
Monoisotopic Mass: 2.8
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]+	213.04770	136.0
[M+Na]+	235.02964	145.6
[M-H]-	211.03314	142.1
[M+NH4]+	230.07424	150.7
[M+K]+	251.00358	141.1
[M+H-H2O]+	195.03768	129.4
[M+HCOO]-	257.03862	153.6
[M+CH3COO]-	271.05427	189.4
[M+Na-2H]-	233.01509	140.0
[M]+	212.03987	138.5
[M]-	212.04097	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe