CID 81549729

3-chloro-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)aniline

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 150.1
[M+Na]+ 258.04046 162.2
[M-H]- 234.04396 158.4
[M+NH4]+ 253.08506 161.5
[M+K]+ 274.01440 157.0
[M+H-H2O]+ 218.04850 142.1
[M+HCOO]- 280.04944 169.0
[M+CH3COO]- 294.06509 163.0
[M+Na-2H]- 256.02591 154.6
[M]+ 235.05069 154.2
[M]- 235.05179 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.