CID 6484123

5-acetyl-3-thiophenecarbaldehyde

Structural Information

Molecular Formula
C7H6O2S
SMILES
CC(=O)C1=CC(=CS1)C=O
InChI
InChI=1S/C7H6O2S/c1-5(9)7-2-6(3-8)4-10-7/h2-4H,1H3
InChIKey
VKJNQKRCLQBBBZ-UHFFFAOYSA-N
Compound name
5-acetylthiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.00885 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01613 129.3
[M+Na]+ 176.99807 139.0
[M-H]- 153.00157 133.9
[M+NH4]+ 172.04267 152.9
[M+K]+ 192.97201 137.3
[M+H-H2O]+ 137.00611 124.7
[M+HCOO]- 199.00705 149.8
[M+CH3COO]- 213.02270 173.5
[M+Na-2H]- 174.98352 131.0
[M]+ 154.00830 132.8
[M]- 154.00940 132.8
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