CID 132398636

2-methanesulfonylthiophene-3-carbaldehyde

Structural Information

Molecular Formula
C6H6O3S2
SMILES
CS(=O)(=O)C1=C(C=CS1)C=O
InChI
InChI=1S/C6H6O3S2/c1-11(8,9)6-5(4-7)2-3-10-6/h2-4H,1H3
InChIKey
KQIWKBUXMZQDBE-UHFFFAOYSA-N
Compound name
2-methylsulfonylthiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.97583 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.98311 137.7
[M+Na]+ 212.96505 148.4
[M-H]- 188.96855 142.2
[M+NH4]+ 208.00965 159.9
[M+K]+ 228.93899 145.1
[M+H-H2O]+ 172.97309 133.3
[M+HCOO]- 234.97403 152.5
[M+CH3COO]- 248.98968 176.2
[M+Na-2H]- 210.95050 139.3
[M]+ 189.97528 142.4
[M]- 189.97638 142.4
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

No patent data available for this compound.