CID 63384063

2-chloro-5-(1,2-oxazol-3-yl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C5H2ClN3OS
SMILES
C1=CON=C1C2=NN=C(S2)Cl
InChI
InChI=1S/C5H2ClN3OS/c6-5-8-7-4(11-5)3-1-2-10-9-3/h1-2H
InChIKey
IPXYMFXYPYHBFM-UHFFFAOYSA-N
Compound name
3-(5-chloro-1,3,4-thiadiazol-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.96071 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.96799 131.0
[M+Na]+ 209.94993 145.0
[M-H]- 185.95343 136.3
[M+NH4]+ 204.99453 150.9
[M+K]+ 225.92387 142.9
[M+H-H2O]+ 169.95797 124.7
[M+HCOO]- 231.95891 147.1
[M+CH3COO]- 245.97456 146.4
[M+Na-2H]- 207.93538 134.7
[M]+ 186.96016 137.8
[M]- 186.96126 137.8
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.