CID 118141416

At51127

Structural Information

Molecular Formula

C₄H₇F₅N₂

SMILES

C(CNN)C(C(F)(F)F)(F)F

InChI

InChI=1S/C4H7F5N2/c5-3(6,1-2-11-10)4(7,8)9/h11H,1-2,10H2

InChIKey

NZFSAMWZJGGVHG-UHFFFAOYSA-N

Compound name

3,3,4,4,4-pentafluorobutylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 178.05293 Da
Monoisotopic Mass: 1.2
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]+	179.06021	129.7
[M+Na]+	201.04215	137.0
[M-H]-	177.04565	123.3
[M+NH4]+	196.08675	148.7
[M+K]+	217.01609	135.5
[M+H-H2O]+	161.05019	121.1
[M+HCOO]-	223.05113	146.9
[M+CH3COO]-	237.06678	184.4
[M+Na-2H]-	199.02760	135.4
[M]+	178.05238	119.9
[M]-	178.05348	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe