CID 2778763

175202-55-8

Structural Information

Molecular Formula
C10H8O4S2
SMILES
CC1=C(SC2=C1C(=C(S2)C(=O)O)C)C(=O)O
InChI
InChI=1S/C10H8O4S2/c1-3-5-4(2)7(9(13)14)16-10(5)15-6(3)8(11)12/h1-2H3,(H,11,12)(H,13,14)
InChIKey
JARLNIWLMPUVAR-UHFFFAOYSA-N
Compound name
3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

255.9864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99368 153.6
[M+Na]+ 278.97562 165.0
[M-H]- 254.97912 157.2
[M+NH4]+ 274.02022 175.2
[M+K]+ 294.94956 161.0
[M+H-H2O]+ 238.98366 151.0
[M+HCOO]- 300.98460 165.8
[M+CH3COO]- 315.00025 188.3
[M+Na-2H]- 276.96107 150.9
[M]+ 255.98585 160.5
[M]- 255.98695 160.5
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