CID 146155652

2301036-57-5

Structural Information

Molecular Formula

C₅H₅ClF₂O

SMILES

C1C(C1(F)F)C(=O)CCl

InChI

InChI=1S/C5H5ClF2O/c6-2-4(9)3-1-5(3,7)8/h3H,1-2H2

InChIKey

SNDNJLZTMBNIQY-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,2-difluorocyclopropyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 153.9997 Da
Monoisotopic Mass: 1.3
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]+	155.00698	119.2
[M+Na]+	176.98892	130.7
[M-H]-	152.99242	121.8
[M+NH4]+	172.03352	138.2
[M+K]+	192.96286	127.8
[M+H-H2O]+	136.99696	114.3
[M+HCOO]-	198.99790	136.4
[M+CH3COO]-	213.01355	178.1
[M+Na-2H]-	174.97437	125.4
[M]+	153.99915	121.5
[M]-	154.00025	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe