CID 83854292

5-(1,1-difluoroethyl)-1,2-oxazol-3-amine

Structural Information

Molecular Formula
C5H6F2N2O
SMILES
CC(C1=CC(=NO1)N)(F)F
InChI
InChI=1S/C5H6F2N2O/c1-5(6,7)3-2-4(8)9-10-3/h2H,1H3,(H2,8,9)
InChIKey
URLSNSXYEZYXJN-UHFFFAOYSA-N
Compound name
5-(1,1-difluoroethyl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.04482 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05210 124.1
[M+Na]+ 171.03404 133.7
[M-H]- 147.03754 124.6
[M+NH4]+ 166.07864 144.3
[M+K]+ 187.00798 133.4
[M+H-H2O]+ 131.04208 117.0
[M+HCOO]- 193.04302 145.4
[M+CH3COO]- 207.05867 174.9
[M+Na-2H]- 169.01949 131.2
[M]+ 148.04427 121.5
[M]- 148.04537 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.