CID 43559293

1306604-81-8

Structural Information

Molecular Formula
C10H10FN3O
SMILES
CC1=NC(=NO1)C(C2=CC=CC=C2F)N
InChI
InChI=1S/C10H10FN3O/c1-6-13-10(14-15-6)9(12)7-4-2-3-5-8(7)11/h2-5,9H,12H2,1H3
InChIKey
AGVCUJHDNMDSGD-UHFFFAOYSA-N
Compound name
(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08808 142.8
[M+Na]+ 230.07002 152.0
[M-H]- 206.07352 146.5
[M+NH4]+ 225.11462 159.0
[M+K]+ 246.04396 149.9
[M+H-H2O]+ 190.07806 133.8
[M+HCOO]- 252.07900 164.3
[M+CH3COO]- 266.09465 187.3
[M+Na-2H]- 228.05547 147.3
[M]+ 207.08025 141.7
[M]- 207.08135 141.7
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

No patent data available for this compound.