CID 28603439

3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C9H6ClFN2O
SMILES
C1=CC(=C(C=C1F)Cl)C2=NOC(=C2)N
InChI
InChI=1S/C9H6ClFN2O/c10-7-3-5(11)1-2-6(7)8-4-9(12)14-13-8/h1-4H,12H2
InChIKey
CBTACQKUWICLPE-UHFFFAOYSA-N
Compound name
3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

212.01527 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02255 140.7
[M+Na]+ 235.00449 152.2
[M-H]- 211.00799 145.9
[M+NH4]+ 230.04909 159.3
[M+K]+ 250.97843 148.2
[M+H-H2O]+ 195.01253 133.5
[M+HCOO]- 257.01347 160.1
[M+CH3COO]- 271.02912 154.8
[M+Na-2H]- 232.98994 145.7
[M]+ 212.01472 141.8
[M]- 212.01582 141.8
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

patents stripe