CID 64559518

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.04482 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.052096 135.6
[M+Na]+ 219.034038 146.6
[M-H]- 195.037544 139.8
[M+NH4]+ 214.078643 154.1
[M+K]+ 235.007978 143.9
[M+H-H2O]+ 179.042080 127.1
[M+HCOO]- 241.043021 158.8
[M+CH3COO]- 255.058671 184.5
[M+Na-2H]- 217.019486 140.7
[M]+ 196.04427142 133.7
[M]- 196.04536858 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