CID 27808

16304-48-6

Structural Information

Molecular Formula
C10H8O3S
SMILES
C1=CC2=C(C=C1O)C(=CS2)CC(=O)O
InChI
InChI=1S/C10H8O3S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5,11H,3H2,(H,12,13)
InChIKey
CCOMWPYUTGGGJR-UHFFFAOYSA-N
Compound name
2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.01941 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02669 141.4
[M+Na]+ 231.00863 153.3
[M+NH4]+ 226.05323 150.0
[M+K]+ 246.98257 147.7
[M-H]- 207.01213 142.4
[M+Na-2H]- 228.99408 146.0
[M]+ 208.01886 143.7
[M]- 208.01996 143.7
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.