CID 89088032

1314398-21-4

Structural Information

Molecular Formula

C₈H₁₅F₂NO₃

SMILES

CC(C)(C)OC(=O)NCC(CO)(F)F

InChI

InChI=1S/C8H15F2NO3/c1-7(2,3)14-6(13)11-4-8(9,10)5-12/h12H,4-5H2,1-3H3,(H,11,13)

InChIKey

GRLXPWNOGXJUKG-UHFFFAOYSA-N

Compound name

tert-butyl N-(2,2-difluoro-3-hydroxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 211.102 Da
Monoisotopic Mass: 0.9
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]+	212.10928	147.4
[M+Na]+	234.09122	152.5
[M+NH4]+	229.13582	151.2
[M+K]+	250.06516	150.5
[M-H]-	210.09472	141.3
[M+Na-2H]-	232.07667	147.4
[M]+	211.10145	145.8
[M]-	211.10255	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe