CID 81549729

Akos020128411

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
C1CC1C2=NN=C(O2)C3=CC(=CC(=C3)Cl)N
InChI
InChI=1S/C11H10ClN3O/c12-8-3-7(4-9(13)5-8)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2,13H2
InChIKey
KGQPZHSILAODEN-UHFFFAOYSA-N
Compound name
3-chloro-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 150.5
[M+Na]+ 258.04046 166.5
[M+NH4]+ 253.08506 159.7
[M+K]+ 274.01440 162.8
[M-H]- 234.04396 163.2
[M+Na-2H]- 256.02591 161.2
[M]+ 235.05069 157.8
[M]- 235.05179 157.8
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.