CID 6479542

5-nitro-2-[(e)-2-(5-nitro-2-furyl)vinyl]thiazole

Structural Information

Molecular Formula
C9H5N3O5S
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C9H5N3O5S/c13-11(14)8-4-2-6(17-8)1-3-7-10-5-9(18-7)12(15)16/h1-5H/b3-1+
InChIKey
GRSUHAIVIUZIGK-HNQUOIGGSA-N
Compound name
5-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.995 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00228 160.8
[M+Na]+ 289.98422 168.2
[M-H]- 265.98772 168.2
[M+NH4]+ 285.02882 176.0
[M+K]+ 305.95816 158.1
[M+H-H2O]+ 249.99226 162.6
[M+HCOO]- 311.99320 183.6
[M+CH3COO]- 326.00885 180.5
[M+Na-2H]- 287.96967 167.1
[M]+ 266.99445 161.0
[M]- 266.99555 161.0
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

No patent data available for this compound.