CID 779777

5-((5-methyl-1,3,4-thiadiazol-2-yl)thio)furan-2-carbaldehyde

Structural Information

Molecular Formula
C8H6N2O2S2
SMILES
CC1=NN=C(S1)SC2=CC=C(O2)C=O
InChI
InChI=1S/C8H6N2O2S2/c1-5-9-10-8(13-5)14-7-3-2-6(4-11)12-7/h2-4H,1H3
InChIKey
ZOVRWRXITRWCJT-UHFFFAOYSA-N
Compound name
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

225.98708 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.994356 143.3
[M+Na]+ 248.976298 157.2
[M-H]- 224.979804 150.3
[M+NH4]+ 244.020903 162.9
[M+K]+ 264.950238 154.6
[M+H-H2O]+ 208.984340 138.3
[M+HCOO]- 270.985281 159.9
[M+CH3COO]- 285.000931 158.3
[M+Na-2H]- 246.961746 143.5
[M]+ 225.98653142 151.2
[M]- 225.98762858 151.2
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.