CID 145952699

Chembl4166624

Structural Information

Molecular Formula
C6H5FN4O
SMILES
C1=C(C=NN1C2=C(ON=C2)N)F
InChI
InChI=1S/C6H5FN4O/c7-4-1-9-11(3-4)5-2-10-12-6(5)8/h1-3H,8H2
InChIKey
YCBKZPFCIBXKIG-UHFFFAOYSA-N
Compound name
4-(4-fluoropyrazol-1-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

168.04474 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05202 126.8
[M+Na]+ 191.03396 138.8
[M-H]- 167.03746 130.2
[M+NH4]+ 186.07856 145.3
[M+K]+ 207.00790 137.4
[M+H-H2O]+ 151.04200 118.2
[M+HCOO]- 213.04294 151.6
[M+CH3COO]- 227.05859 141.6
[M+Na-2H]- 189.01941 132.9
[M]+ 168.04419 127.8
[M]- 168.04529 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe