CID 105427789

1785360-18-0

Structural Information

Molecular Formula

SMILES

CC(=O)C1(CC1)C(F)F

InChI

InChI=1S/C6H8F2O/c1-4(9)6(2-3-6)5(7)8/h5H,2-3H2,1H3

InChIKey

YWJJZBFDLCCORP-UHFFFAOYSA-N

Compound name

1-[1-(difluoromethyl)cyclopropyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 134.05432 Da
Monoisotopic Mass: 1.1
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]+	135.06160	121.4
[M+Na]+	157.04354	130.9
[M-H]-	133.04704	124.0
[M+NH4]+	152.08814	140.1
[M+K]+	173.01748	130.3
[M+H-H2O]+	117.05158	115.4
[M+HCOO]-	179.05252	141.7
[M+CH3COO]-	193.06817	177.1
[M+Na-2H]-	155.02899	126.8
[M]+	134.05377	121.4
[M]-	134.05487	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe