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 140.8
[M+Na]+ 231.00863 151.2
[M-H]- 207.01213 144.0
[M+NH4]+ 226.05323 162.2
[M+K]+ 246.98257 147.2
[M+H-H2O]+ 191.01667 136.5
[M+HCOO]- 253.01761 158.8
[M+CH3COO]- 267.03326 178.6
[M+Na-2H]- 228.99408 143.9
[M]+ 208.01886 144.7
[M]- 208.01996 144.7
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.