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]+ 135.036446 119.9
[M+Na]+ 157.018388 129.2
[M-H]- 133.021894 120.3
[M+NH4]+ 152.062993 140.4
[M+K]+ 172.992328 129.2
[M+H-H2O]+ 117.026430 112.3
[M+HCOO]- 179.027371 142.1
[M+CH3COO]- 193.043021 172.4
[M+Na-2H]- 155.003836 125.5
[M]+ 134.02862142 116.9
[M]- 134.02971858 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.