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]+ 240.05344 150.0
[M+Na]+ 262.03538 159.6
[M-H]- 238.03888 154.8
[M+NH4]+ 257.07998 165.8
[M+K]+ 278.00932 156.8
[M+H-H2O]+ 222.04342 142.2
[M+HCOO]- 284.04436 168.1
[M+CH3COO]- 298.06001 190.5
[M+Na-2H]- 260.02083 154.5
[M]+ 239.04561 153.3
[M]- 239.04671 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.