CID 81549729

Refchem:500075

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]+ 236.058516 150.1
[M+Na]+ 258.040458 162.2
[M-H]- 234.043964 158.4
[M+NH4]+ 253.085063 161.5
[M+K]+ 274.014398 157.0
[M+H-H2O]+ 218.048500 142.1
[M+HCOO]- 280.049441 169.0
[M+CH3COO]- 294.065091 163.0
[M+Na-2H]- 256.025906 154.6
[M]+ 235.05069142 154.2
[M]- 235.05178858 154.2
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.