CID 82284309

2-chloro-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

Structural Information

Molecular Formula
C9H6ClFN2O
SMILES
C1=CC(=CC=C1CC2=NN=C(O2)Cl)F
InChI
InChI=1S/C9H6ClFN2O/c10-9-13-12-8(14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKey
XKZDZKVJUAGLJY-UHFFFAOYSA-N
Compound name
2-chloro-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.2
[M+Na]+ 235.00449 150.7
[M-H]- 211.00799 143.0
[M+NH4]+ 230.04909 156.7
[M+K]+ 250.97843 147.1
[M+H-H2O]+ 195.01253 131.0
[M+HCOO]- 257.01347 156.9
[M+CH3COO]- 271.02912 153.0
[M+Na-2H]- 232.98994 145.4
[M]+ 212.01472 142.0
[M]- 212.01582 142.0
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.