CID 22666361

1379164-23-4

Structural Information

Molecular Formula
C9H5FO2S
SMILES
C1=CC(=C2C=CSC2=C1C(=O)O)F
InChI
InChI=1S/C9H5FO2S/c10-7-2-1-6(9(11)12)8-5(7)3-4-13-8/h1-4H,(H,11,12)
InChIKey
SOPRMFWHAPJXKL-UHFFFAOYSA-N
Compound name
4-fluoro-1-benzothiophene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

195.99944 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00672 136.9
[M+Na]+ 218.98866 149.1
[M+NH4]+ 214.03326 145.8
[M+K]+ 234.96260 142.9
[M-H]- 194.99216 137.5
[M+Na-2H]- 216.97411 142.1
[M]+ 195.99889 139.2
[M]- 195.99999 139.2
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

patents stripe