CID 43513132

2-(1-chloroethyl)-5-(naphthalen-2-yl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
CC(C1=NN=C(O1)C2=CC3=CC=CC=C3C=C2)Cl
InChI
InChI=1S/C14H11ClN2O/c1-9(15)13-16-17-14(18-13)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKey
PNYDVHWVMJLDIF-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.056 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.063276 155.3
[M+Na]+ 281.045218 166.7
[M-H]- 257.048724 161.4
[M+NH4]+ 276.089823 171.9
[M+K]+ 297.019158 162.0
[M+H-H2O]+ 241.053260 147.2
[M+HCOO]- 303.054201 172.5
[M+CH3COO]- 317.069851 168.5
[M+Na-2H]- 279.030666 161.8
[M]+ 258.05545142 160.6
[M]- 258.05654858 160.6
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.