CID 43150195

5-(1-chloroethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C11H10ClFN2O
SMILES
CC1=C(C=CC(=C1)C2=NOC(=N2)C(C)Cl)F
InChI
InChI=1S/C11H10ClFN2O/c1-6-5-8(3-4-9(6)13)10-14-11(7(2)12)16-15-10/h3-5,7H,1-2H3
InChIKey
WVSHKIGAYPPUFM-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.04657 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.053846 148.7
[M+Na]+ 263.035788 160.0
[M-H]- 239.039294 152.8
[M+NH4]+ 258.080393 165.4
[M+K]+ 279.009728 156.3
[M+H-H2O]+ 223.043830 140.6
[M+HCOO]- 285.044771 164.7
[M+CH3COO]- 299.060421 191.0
[M+Na-2H]- 261.021236 152.0
[M]+ 240.04602142 152.0
[M]- 240.04711858 152.0
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.