CID 28603438

3-(2,4-difluorophenyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C9H6F2N2O
SMILES
C1=CC(=C(C=C1F)F)C2=NOC(=C2)N
InChI
InChI=1S/C9H6F2N2O/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8/h1-4H,12H2
InChIKey
IWLVIVKGGLGGEH-UHFFFAOYSA-N
Compound name
3-(2,4-difluorophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

196.04482 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05210 135.6
[M+Na]+ 219.03404 146.6
[M-H]- 195.03754 139.8
[M+NH4]+ 214.07864 154.1
[M+K]+ 235.00798 143.9
[M+H-H2O]+ 179.04208 127.1
[M+HCOO]- 241.04302 158.8
[M+CH3COO]- 255.05867 184.5
[M+Na-2H]- 217.01949 140.7
[M]+ 196.04427 133.7
[M]- 196.04537 133.7
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