CID 33676775

[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methanamine

Structural Information

Molecular Formula
C10H8F2N2O
SMILES
C1=CC(=C(C=C1F)F)C2=CC(=NO2)CN
InChI
InChI=1S/C10H8F2N2O/c11-6-1-2-8(9(12)3-6)10-4-7(5-13)14-15-10/h1-4H,5,13H2
InChIKey
YEAOBZWPCOMYAO-UHFFFAOYSA-N
Compound name
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06047 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.067746 140.4
[M+Na]+ 233.049688 150.9
[M-H]- 209.053194 144.4
[M+NH4]+ 228.094293 158.2
[M+K]+ 249.023628 148.0
[M+H-H2O]+ 193.057730 131.7
[M+HCOO]- 255.058671 163.2
[M+CH3COO]- 269.074321 187.5
[M+Na-2H]- 231.035136 144.9
[M]+ 210.05992142 138.8
[M]- 210.06101858 138.8
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.