CID 68631

Furazolium chloride

Structural Information

Molecular Formula
C9H7N3O3S
SMILES
C1CN2C(=CSC2=N1)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O3S/c13-12(14)8-2-1-7(15-8)6-5-16-9-10-3-4-11(6)9/h1-2,5H,3-4H2
InChIKey
QWNNGDMXFGRSPJ-UHFFFAOYSA-N
Compound name
3-(5-nitrofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2336
Patents

237.02081 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.028086 149.4
[M+Na]+ 260.010028 158.7
[M-H]- 236.013534 157.0
[M+NH4]+ 255.054633 169.2
[M+K]+ 275.983968 154.3
[M+H-H2O]+ 220.018070 148.6
[M+HCOO]- 282.019011 169.2
[M+CH3COO]- 296.034661 181.0
[M+Na-2H]- 257.995476 152.6
[M]+ 237.02026142 151.1
[M]- 237.02135858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe