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]+ 241.05385 148.7
[M+Na]+ 263.03579 160.0
[M-H]- 239.03929 152.8
[M+NH4]+ 258.08039 165.4
[M+K]+ 279.00973 156.3
[M+H-H2O]+ 223.04383 140.6
[M+HCOO]- 285.04477 164.7
[M+CH3COO]- 299.06042 191.0
[M+Na-2H]- 261.02124 152.0
[M]+ 240.04602 152.0
[M]- 240.04712 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.