CID 62227601

5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H10ClN3O2
SMILES
CC(C1=NN=C(O1)N)OC2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H10ClN3O2/c1-6(9-13-14-10(12)16-9)15-8-4-2-3-7(11)5-8/h2-6H,1H3,(H2,12,14)
InChIKey
DMEBAUPNLYOXKK-UHFFFAOYSA-N
Compound name
5-[1-(3-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.04616 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.053436 150.0
[M+Na]+ 262.035378 159.6
[M-H]- 238.038884 154.8
[M+NH4]+ 257.079983 165.8
[M+K]+ 278.009318 156.8
[M+H-H2O]+ 222.043420 142.2
[M+HCOO]- 284.044361 168.1
[M+CH3COO]- 298.060011 190.5
[M+Na-2H]- 260.020826 154.5
[M]+ 239.04561142 153.3
[M]- 239.04670858 153.3
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.