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

702
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

literature stripe

Patent stripe

patents stripe