CID 28603439

1021245-87-3

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

18
Patents

212.01527 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.022546 140.7
[M+Na]+ 235.004488 152.2
[M-H]- 211.007994 145.9
[M+NH4]+ 230.049093 159.3
[M+K]+ 250.978428 148.2
[M+H-H2O]+ 195.012530 133.5
[M+HCOO]- 257.013471 160.1
[M+CH3COO]- 271.029121 154.8
[M+Na-2H]- 232.989936 145.7
[M]+ 212.01472142 141.8
[M]- 212.01581858 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