CID 130717444

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

Structural Information

Molecular Formula
C4H4F2N2O
SMILES
C1=C(ON=C1C(F)F)N
InChI
InChI=1S/C4H4F2N2O/c5-4(6)2-1-3(7)9-8-2/h1,4H,7H2
InChIKey
ZDUQKRSWUFXCGH-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.02917 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.03645 119.9
[M+Na]+ 157.01839 129.2
[M-H]- 133.02189 120.3
[M+NH4]+ 152.06299 140.4
[M+K]+ 172.99233 129.2
[M+H-H2O]+ 117.02643 112.3
[M+HCOO]- 179.02737 142.1
[M+CH3COO]- 193.04302 172.4
[M+Na-2H]- 155.00384 125.5
[M]+ 134.02862 116.9
[M]- 134.02972 116.9
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.