CID 135151

Adfmp

Structural Information

Molecular Formula

C₅H₁₂F₂N₂

SMILES

C(CC(C(F)F)N)CN

InChI

InChI=1S/C5H12F2N2/c6-5(7)4(9)2-1-3-8/h4-5H,1-3,8-9H2

InChIKey

PUAMHXQPUKPWSJ-UHFFFAOYSA-N

Compound name

5,5-difluoropentane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 138.09685 Da
Monoisotopic Mass: 0.0
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]+	139.10413	128.9
[M+Na]+	161.08607	134.3
[M-H]-	137.08957	125.4
[M+NH4]+	156.13067	149.2
[M+K]+	177.06001	133.6
[M+H-H2O]+	121.09411	121.8
[M+HCOO]-	183.09505	149.5
[M+CH3COO]-	197.11070	179.7
[M+Na-2H]-	159.07152	130.9
[M]+	138.09630	122.2
[M]-	138.09740	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe