CID 13567694

4h,6h,7h-thieno[3,2-c]thiopyran-4-carboxylic acid

Structural Information

Molecular Formula
C8H8O2S2
SMILES
C1CSC(C2=C1SC=C2)C(=O)O
InChI
InChI=1S/C8H8O2S2/c9-8(10)7-5-1-3-11-6(5)2-4-12-7/h1,3,7H,2,4H2,(H,9,10)
InChIKey
LJDDCXKISNJWCA-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99657 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00385 138.7
[M+Na]+ 222.98579 146.8
[M-H]- 198.98929 141.7
[M+NH4]+ 218.03039 160.8
[M+K]+ 238.95973 143.2
[M+H-H2O]+ 182.99383 134.8
[M+HCOO]- 244.99477 148.8
[M+CH3COO]- 259.01042 151.2
[M+Na-2H]- 220.97124 139.3
[M]+ 199.99602 138.9
[M]- 199.99712 138.9
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.