CID 208280

4-thiazolecarboxaldehyde, 2-(5-nitro-2-thienyl)-

Structural Information

Molecular Formula
C8H4N2O3S2
SMILES
C1=C(SC(=C1)[N+](=O)[O-])C2=NC(=CS2)C=O
InChI
InChI=1S/C8H4N2O3S2/c11-3-5-4-14-8(9-5)6-1-2-7(15-6)10(12)13/h1-4H
InChIKey
NKUIGIUMTOAMIW-UHFFFAOYSA-N
Compound name
2-(5-nitrothiophen-2-yl)-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.96634 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.97362 149.3
[M+Na]+ 262.95556 160.2
[M-H]- 238.95906 156.6
[M+NH4]+ 258.00016 169.1
[M+K]+ 278.92950 152.3
[M+H-H2O]+ 222.96360 147.9
[M+HCOO]- 284.96454 167.9
[M+CH3COO]- 298.98019 180.2
[M+Na-2H]- 260.94101 151.3
[M]+ 239.96579 152.2
[M]- 239.96689 152.2
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

patents stripe