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]+ 224.058516 147.7
[M+Na]+ 246.040458 158.7
[M-H]- 222.043964 152.6
[M+NH4]+ 241.085063 164.5
[M+K]+ 262.014398 154.8
[M+H-H2O]+ 206.048500 140.2
[M+HCOO]- 268.049441 166.4
[M+CH3COO]- 282.065091 161.1
[M+Na-2H]- 244.025906 152.5
[M]+ 223.05069142 150.5
[M]- 223.05178858 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.