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]+ 210.042856 143.0
[M+Na]+ 232.024798 154.5
[M-H]- 208.028304 148.1
[M+NH4]+ 227.069403 160.4
[M+K]+ 247.998738 150.8
[M+H-H2O]+ 192.032840 135.7
[M+HCOO]- 254.033781 162.1
[M+CH3COO]- 268.049431 156.9
[M+Na-2H]- 230.010246 148.3
[M]+ 209.03503142 145.5
[M]- 209.03612858 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