CID 28603394

1020955-05-8

Structural Information

Molecular Formula
C10H8F2N2O2
SMILES
C1=CC(=CC=C1C2=NOC(=C2)N)OC(F)F
InChI
InChI=1S/C10H8F2N2O2/c11-10(12)15-7-3-1-6(2-4-7)8-5-9(13)16-14-8/h1-5,10H,13H2
InChIKey
HQVFPPUOUJQDPU-UHFFFAOYSA-N
Compound name
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05539 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.062666 143.8
[M+Na]+ 249.044608 152.8
[M-H]- 225.048114 147.5
[M+NH4]+ 244.089213 160.4
[M+K]+ 265.018548 151.0
[M+H-H2O]+ 209.052650 134.6
[M+HCOO]- 271.053591 165.8
[M+CH3COO]- 285.069241 189.4
[M+Na-2H]- 247.030056 147.8
[M]+ 226.05484142 142.5
[M]- 226.05593858 142.5
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.