CID 70027

832-72-4

Structural Information

Molecular Formula

C₈H₂ClF₅O

SMILES

C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl

InChI

InChI=1S/C8H2ClF5O/c9-3(15)1-2-4(10)6(12)8(14)7(13)5(2)11/h1H2

InChIKey

UUHZXQCRVUYLII-UHFFFAOYSA-N

Compound name

2-(2,3,4,5,6-pentafluorophenyl)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 243.97144 Da
Monoisotopic Mass: 2.9
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]+	244.97872	135.4
[M+Na]+	266.96066	148.9
[M-H]-	242.96416	133.9
[M+NH4]+	262.00526	154.6
[M+K]+	282.93460	143.6
[M+H-H2O]+	226.96870	127.3
[M+HCOO]-	288.96964	149.9
[M+CH3COO]-	302.98529	194.0
[M+Na-2H]-	264.94611	136.4
[M]+	243.97089	133.1
[M]-	243.97199	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe