CID 53665605

3,4-dihydro-2h-1-benzothiopyran-6-carbaldehyde

Structural Information

Molecular Formula
C10H10OS
SMILES
C1CC2=C(C=CC(=C2)C=O)SC1
InChI
InChI=1S/C10H10OS/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6-7H,1-2,5H2
InChIKey
AWIZSXDXNGDBBO-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-thiochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

178.04524 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05252 133.3
[M+Na]+ 201.03446 141.2
[M-H]- 177.03796 137.7
[M+NH4]+ 196.07906 155.1
[M+K]+ 217.00840 137.9
[M+H-H2O]+ 161.04250 127.9
[M+HCOO]- 223.04344 149.9
[M+CH3COO]- 237.05909 146.7
[M+Na-2H]- 199.01991 138.6
[M]+ 178.04469 133.0
[M]- 178.04579 133.0
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