CID 12723754

2-hydroxy-2,2-bis(2-thienyl) acetic acid

Structural Information

Molecular Formula
C10H8O3S2
SMILES
C1=CSC(=C1)C(C2=CC=CS2)(C(=O)O)O
InChI
InChI=1S/C10H8O3S2/c11-9(12)10(13,7-3-1-5-14-7)8-4-2-6-15-8/h1-6,13H,(H,11,12)
InChIKey
FVEJUHUCFCAYRP-UHFFFAOYSA-N
Compound name
2-hydroxy-2,2-dithiophen-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

719
Patents

239.99149 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99877 154.0
[M+Na]+ 262.98071 163.5
[M-H]- 238.98421 159.3
[M+NH4]+ 258.02531 174.5
[M+K]+ 278.95465 159.4
[M+H-H2O]+ 222.98875 149.9
[M+HCOO]- 284.98969 167.6
[M+CH3COO]- 299.00534 180.1
[M+Na-2H]- 260.96616 154.0
[M]+ 239.99094 157.2
[M]- 239.99204 157.2
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.