CID 29269047

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

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
CCC1=NOC(=N1)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C10H10ClN3O/c1-2-9-13-10(15-14-9)7-5-6(11)3-4-8(7)12/h3-5H,2,12H2,1H3
InChIKey
UQVCWPZDBFOGGM-UHFFFAOYSA-N
Compound name
4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05124 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05852 147.7
[M+Na]+ 246.04046 158.7
[M-H]- 222.04396 152.6
[M+NH4]+ 241.08506 164.5
[M+K]+ 262.01440 154.8
[M+H-H2O]+ 206.04850 140.2
[M+HCOO]- 268.04944 166.4
[M+CH3COO]- 282.06509 161.1
[M+Na-2H]- 244.02591 152.5
[M]+ 223.05069 150.5
[M]- 223.05179 150.5
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.