CID 3060511

78205-33-1

Structural Information

Molecular Formula
C8H6N4O3S
SMILES
C1CSC2=NN=C(N21)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C8H6N4O3S/c13-12(14)6-2-1-5(15-6)7-9-10-8-11(7)3-4-16-8/h1-2H,3-4H2
InChIKey
VGRYHUFYPGUZIV-UHFFFAOYSA-N
Compound name
3-(5-nitrofuran-2-yl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01607 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02335 146.8
[M+Na]+ 261.00529 157.5
[M-H]- 237.00879 153.8
[M+NH4]+ 256.04989 165.5
[M+K]+ 276.97923 153.1
[M+H-H2O]+ 221.01333 145.4
[M+HCOO]- 283.01427 167.2
[M+CH3COO]- 297.02992 180.7
[M+Na-2H]- 258.99074 151.2
[M]+ 238.01552 149.9
[M]- 238.01662 149.9
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.