CID 2113325

2-(chloromethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C9H6ClFN2O
SMILES
C1=CC(=CC=C1C2=NN=C(O2)CCl)F
InChI
InChI=1S/C9H6ClFN2O/c10-5-8-12-13-9(14-8)6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKey
QHQRMDRNRFBTPI-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.01527 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02255 140.5
[M+Na]+ 235.00449 155.4
[M+NH4]+ 230.04909 148.7
[M+K]+ 250.97843 150.0
[M-H]- 211.00799 143.4
[M+Na-2H]- 232.98994 148.5
[M]+ 212.01472 143.7
[M]- 212.01582 143.7
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

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