CID 64319002

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

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
CC1=NOC(=N1)C2=CC(=C(C=C2)N)Cl
InChI
InChI=1S/C9H8ClN3O/c1-5-12-9(14-13-5)6-2-3-8(11)7(10)4-6/h2-4H,11H2,1H3
InChIKey
HFKOIPBWEHJCQH-UHFFFAOYSA-N
Compound name
2-chloro-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

209.03558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04286 143.0
[M+Na]+ 232.02480 154.5
[M-H]- 208.02830 148.1
[M+NH4]+ 227.06940 160.4
[M+K]+ 247.99874 150.8
[M+H-H2O]+ 192.03284 135.7
[M+HCOO]- 254.03378 162.1
[M+CH3COO]- 268.04943 156.9
[M+Na-2H]- 230.01025 148.3
[M]+ 209.03503 145.5
[M]- 209.03613 145.5
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

patents stripe