CID 70978

1198-63-6

Structural Information

Molecular Formula

C₆H₄F₄N₂

SMILES

C1(=C(C(=C(C(=C1F)F)F)N)F)N

InChI

InChI=1S/C6H4F4N2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H2

InChIKey

FXGQUGCFZKMIJW-UHFFFAOYSA-N

Compound name

2,4,5,6-tetrafluorobenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5064
Patents: 180.03107 Da
Monoisotopic Mass: 1.0
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]+	181.03835	129.1
[M+Na]+	203.02029	140.9
[M-H]-	179.02379	128.2
[M+NH4]+	198.06489	149.0
[M+K]+	218.99423	137.2
[M+H-H2O]+	163.02833	120.6
[M+HCOO]-	225.02927	150.9
[M+CH3COO]-	239.04492	187.8
[M+Na-2H]-	201.00574	131.2
[M]+	180.03052	121.5
[M]-	180.03162	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe