CID 61326007

1795488-66-2

Structural Information

Molecular Formula
C9H7ClFN3O
SMILES
C1=CC(=C(C=C1Cl)F)C2=NC(=NO2)CN
InChI
InChI=1S/C9H7ClFN3O/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)14-15-9/h1-3H,4,12H2
InChIKey
NLAAQJOBFHNDBT-UHFFFAOYSA-N
Compound name
[5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.02617 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03345 144.9
[M+Na]+ 250.01539 156.4
[M-H]- 226.01889 148.6
[M+NH4]+ 245.05999 161.5
[M+K]+ 265.98933 152.3
[M+H-H2O]+ 210.02343 136.6
[M+HCOO]- 272.02437 163.0
[M+CH3COO]- 286.04002 158.2
[M+Na-2H]- 248.00084 149.7
[M]+ 227.02562 146.4
[M]- 227.02672 146.4
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

No patent data available for this compound.