CID 62501701

21742-06-3

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CC=C(C(=C1)C2=NON=C2N)Cl
InChI
InChI=1S/C8H6ClN3O/c9-6-4-2-1-3-5(6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKey
ZEVIWNGRQJLFRP-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.01994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.027216 137.9
[M+Na]+ 218.009158 148.8
[M-H]- 194.012664 142.7
[M+NH4]+ 213.053763 155.5
[M+K]+ 233.983098 145.4
[M+H-H2O]+ 178.017200 130.5
[M+HCOO]- 240.018141 157.3
[M+CH3COO]- 254.033791 151.8
[M+Na-2H]- 215.994606 144.5
[M]+ 195.01939142 139.6
[M]- 195.02048858 139.6
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