CID 11414137

Methyl alpha-hydroxy-alpha-2-thienyl-2-thiopheneacetate

Structural Information

Molecular Formula
C11H10O3S2
SMILES
COC(=O)C(C1=CC=CS1)(C2=CC=CS2)O
InChI
InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3
InChIKey
SYHWYWHVEQQDMO-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2,2-dithiophen-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

254.00714 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01442 158.8
[M+Na]+ 276.99636 168.5
[M-H]- 252.99986 165.5
[M+NH4]+ 272.04096 179.6
[M+K]+ 292.97030 165.1
[M+H-H2O]+ 237.00440 154.4
[M+HCOO]- 299.00534 173.6
[M+CH3COO]- 313.02099 184.8
[M+Na-2H]- 274.98181 158.7
[M]+ 254.00659 164.2
[M]- 254.00769 164.2
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