CID 5080246

Hexafluoroacetone azine

Structural Information

Molecular Formula

C₆F₁₂N₂

SMILES

C(=NN=C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C6F12N2/c7-3(8,9)1(4(10,11)12)19-20-2(5(13,14)15)6(16,17)18

InChIKey

SZLJMGDRBNZIIE-UHFFFAOYSA-N

Compound name

1,1,1,3,3,3-hexafluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)propan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 327.987 Da
Monoisotopic Mass: 4.9
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]+	328.99428	155.6
[M+Na]+	350.97622	164.7
[M-H]-	326.97972	144.8
[M+NH4]+	346.02082	169.4
[M+K]+	366.95016	162.7
[M+H-H2O]+	310.98426	141.6
[M+HCOO]-	372.98520	163.6
[M+CH3COO]-	387.00085	214.2
[M+Na-2H]-	348.96167	157.6
[M]+	327.98645	137.0
[M]-	327.98755	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe