CID 2756724

131803-37-7

Structural Information

Molecular Formula

C₈H₄Cl₂F₄

SMILES

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

InChI

InChI=1S/C8H4Cl2F4/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2

InChIKey

WEUAASLFNKTIIM-UHFFFAOYSA-N

Compound name

1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 245.96262 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]+	246.96990	136.2
[M+Na]+	268.95184	149.9
[M-H]-	244.95534	135.1
[M+NH4]+	263.99644	156.0
[M+K]+	284.92578	143.2
[M+H-H2O]+	228.95988	129.8
[M+HCOO]-	290.96082	147.2
[M+CH3COO]-	304.97647	193.7
[M+Na-2H]-	266.93729	138.3
[M]+	245.96207	136.1
[M]-	245.96317	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe