CID 58180587

N-(2,2-difluoroethyl)(tert-butoxy)carbohydrazide

Structural Information

Molecular Formula

C₇H₁₄F₂N₂O₂

SMILES

CC(C)(C)OC(=O)N(CC(F)F)N

InChI

InChI=1S/C7H14F2N2O2/c1-7(2,3)13-6(12)11(10)4-5(8)9/h5H,4,10H2,1-3H3

InChIKey

DZNGFYLSSPVOFT-UHFFFAOYSA-N

Compound name

tert-butyl N-amino-N-(2,2-difluoroethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 196.10234 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]+	197.109616	141.7
[M+Na]+	219.091558	147.5
[M-H]-	195.095064	140.4
[M+NH4]+	214.136163	161.0
[M+K]+	235.065498	148.9
[M+H-H2O]+	179.099600	134.7
[M+HCOO]-	241.100541	162.2
[M+CH3COO]-	255.116191	191.3
[M+Na-2H]-	217.077006	143.9
[M]+	196.10179142	139.6
[M]-	196.10288858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe