CID 2113888

4h-thieno[3,2-c]chromene-2-carboxylic acid

Structural Information

Molecular Formula
C12H8O3S
SMILES
C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)O
InChI
InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
InChIKey
ZMEWPWRPNHFDRC-UHFFFAOYSA-N
Compound name
4H-thieno[3,2-c]chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

36
Patents

232.01941 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.026686 145.3
[M+Na]+ 255.008628 155.0
[M-H]- 231.012134 150.8
[M+NH4]+ 250.053233 166.0
[M+K]+ 270.982568 152.4
[M+H-H2O]+ 215.016670 141.0
[M+HCOO]- 277.017611 160.6
[M+CH3COO]- 291.033261 158.7
[M+Na-2H]- 252.994076 150.1
[M]+ 232.01886142 148.5
[M]- 232.01995858 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe