CID 137230

1-chloro-2,3,5,6-tetrafluorobenzene

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6HClF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H

InChIKey

QLDHPPIOYFTGAJ-UHFFFAOYSA-N

Compound name

3-chloro-1,2,4,5-tetrafluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 183.97029 Da
Monoisotopic Mass: 3.1
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]+	184.97757	122.4
[M+Na]+	206.95951	135.8
[M-H]-	182.96301	122.1
[M+NH4]+	202.00411	144.1
[M+K]+	222.93345	131.0
[M+H-H2O]+	166.96755	115.5
[M+HCOO]-	228.96849	139.2
[M+CH3COO]-	242.98414	182.0
[M+Na-2H]-	204.94496	127.0
[M]+	183.96974	120.1
[M]-	183.97084	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe