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

1
Patents

148.04482 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.052096 124.1
[M+Na]+ 171.034038 133.7
[M-H]- 147.037544 124.6
[M+NH4]+ 166.078643 144.3
[M+K]+ 187.007978 133.4
[M+H-H2O]+ 131.042080 117.0
[M+HCOO]- 193.043021 145.4
[M+CH3COO]- 207.058671 174.9
[M+Na-2H]- 169.019486 131.2
[M]+ 148.04427142 121.5
[M]- 148.04536858 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

patents stripe