CID 137963886

2228153-34-0

Structural Information

Molecular Formula
C11H8O4S
SMILES
COC(=O)C1=C2C=C(SC2=CC=C1)C(=O)O
InChI
InChI=1S/C11H8O4S/c1-15-11(14)6-3-2-4-8-7(6)5-9(16-8)10(12)13/h2-5H,1H3,(H,12,13)
InChIKey
UZMZJQNQJIGNEV-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-1-benzothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.01433 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02161 148.6
[M+Na]+ 259.00355 160.1
[M+NH4]+ 254.04815 156.4
[M+K]+ 274.97749 155.2
[M-H]- 235.00705 149.2
[M+Na-2H]- 256.98900 152.8
[M]+ 236.01378 150.7
[M]- 236.01488 150.7
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.