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

0
Patents

157.98601 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99329 128.4
[M+Na]+ 180.97523 139.0
[M-H]- 156.97873 132.9
[M+NH4]+ 176.01983 152.2
[M+K]+ 196.94917 135.7
[M+H-H2O]+ 140.98327 123.9
[M+HCOO]- 202.98421 144.0
[M+CH3COO]- 216.99986 173.7
[M+Na-2H]- 178.96068 129.1
[M]+ 157.98546 132.3
[M]- 157.98656 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