CID 11240634

2-(methylthio)thiophene-4-carboxaldehyde

Structural Information

Molecular Formula
C6H6OS2
SMILES
CSC1=CC(=CS1)C=O
InChI
InChI=1S/C6H6OS2/c1-8-6-2-5(3-7)4-9-6/h2-4H,1H3
InChIKey
NOIXCSMAOWHQQO-UHFFFAOYSA-N
Compound name
5-methylsulfanylthiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.98601 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.993286 128.4
[M+Na]+ 180.975228 139.0
[M-H]- 156.978734 132.9
[M+NH4]+ 176.019833 152.2
[M+K]+ 196.949168 135.7
[M+H-H2O]+ 140.983270 123.9
[M+HCOO]- 202.984211 144.0
[M+CH3COO]- 216.999861 173.7
[M+Na-2H]- 178.960676 129.1
[M]+ 157.98546142 132.3
[M]- 157.98655858 132.3
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