CID 60984811

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

Structural Information

Molecular Formula
C6H3ClN4O
SMILES
C1=CN=C(N=C1)C2=NOC(=N2)Cl
InChI
InChI=1S/C6H3ClN4O/c7-6-10-5(11-12-6)4-8-2-1-3-9-4/h1-3H
InChIKey
GZRBWMVJSQDUAK-UHFFFAOYSA-N
Compound name
5-chloro-3-pyrimidin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.99954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00682 131.8
[M+Na]+ 204.98876 143.4
[M-H]- 180.99226 134.0
[M+NH4]+ 200.03336 147.3
[M+K]+ 220.96270 140.8
[M+H-H2O]+ 164.99680 122.6
[M+HCOO]- 226.99774 148.5
[M+CH3COO]- 241.01339 145.4
[M+Na-2H]- 202.97421 140.3
[M]+ 181.99899 134.7
[M]- 182.00009 134.7
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.