CID 5360551

Furazoliumchloride

Structural Information

Molecular Formula
C9H8N3O3S
SMILES
C1C[N+]2=C(N1)SC=C2C3=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/p+1
InChIKey
QWNNGDMXFGRSPJ-UHFFFAOYSA-O
Compound name
3-(5-nitrofuran-2-yl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazol-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2658
Patents

238.02864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03592 150.1
[M+Na]+ 261.01786 159.3
[M-H]- 237.02136 156.9
[M+NH4]+ 256.06246 168.7
[M+K]+ 276.99180 148.5
[M+H-H2O]+ 221.02590 151.9
[M+HCOO]- 283.02684 169.1
[M+CH3COO]- 297.04249 172.5
[M+Na-2H]- 259.00331 156.5
[M]+ 238.02809 149.7
[M]- 238.02919 149.7
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.