CID 83854865

2413904-40-0

Structural Information

Molecular Formula

C₆H₈F₂N₂O

SMILES

CC(C1=CC(=NO1)CN)(F)F

InChI

InChI=1S/C6H8F2N2O/c1-6(7,8)5-2-4(3-9)10-11-5/h2H,3,9H2,1H3

InChIKey

YGCAZIJWPOPZOD-UHFFFAOYSA-N

Compound name

[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.06047 Da
Monoisotopic Mass: 0.1
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]+	163.06775	128.9
[M+Na]+	185.04969	138.0
[M-H]-	161.05319	129.2
[M+NH4]+	180.09429	148.5
[M+K]+	201.02363	137.5
[M+H-H2O]+	145.05773	121.6
[M+HCOO]-	207.05867	149.8
[M+CH3COO]-	221.07432	178.0
[M+Na-2H]-	183.03514	135.4
[M]+	162.05992	126.7
[M]-	162.06102	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.