CID 20477180

86617-94-9

Structural Information

Molecular Formula

C₉H₁₇F₂NO₃

SMILES

CC(C)(C)OC(=O)NC(CCO)C(F)F

InChI

InChI=1S/C9H17F2NO3/c1-9(2,3)15-8(14)12-6(4-5-13)7(10)11/h6-7,13H,4-5H2,1-3H3,(H,12,14)

InChIKey

XBFNOAHGCYRUFI-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,1-difluoro-4-hydroxybutan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 225.11765 Da
Monoisotopic Mass: 1.5
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]+	226.12493	150.3
[M+Na]+	248.10687	155.2
[M-H]-	224.11037	146.3
[M+NH4]+	243.15147	167.5
[M+K]+	264.08081	155.1
[M+H-H2O]+	208.11491	143.7
[M+HCOO]-	270.11585	166.9
[M+CH3COO]-	284.13150	189.9
[M+Na-2H]-	246.09232	151.3
[M]+	225.11710	148.4
[M]-	225.11820	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe