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]+ 226.99436 143.3
[M+Na]+ 248.97630 157.2
[M-H]- 224.97980 150.3
[M+NH4]+ 244.02090 162.9
[M+K]+ 264.95024 154.6
[M+H-H2O]+ 208.98434 138.3
[M+HCOO]- 270.98528 159.9
[M+CH3COO]- 285.00093 158.3
[M+Na-2H]- 246.96175 143.5
[M]+ 225.98653 151.2
[M]- 225.98763 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.