CID 84739930

5-fluoro-2-methyl-1-benzothiophene-3-carboxylic acid

Structural Information

Molecular Formula
C10H7FO2S
SMILES
CC1=C(C2=C(S1)C=CC(=C2)F)C(=O)O
InChI
InChI=1S/C10H7FO2S/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-4H,1H3,(H,12,13)
InChIKey
RKIAKSQHBQOUOT-UHFFFAOYSA-N
Compound name
5-fluoro-2-methyl-1-benzothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.01508 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02236 141.8
[M+Na]+ 233.00430 154.0
[M+NH4]+ 228.04890 150.4
[M+K]+ 248.97824 147.9
[M-H]- 209.00780 142.3
[M+Na-2H]- 230.98975 146.4
[M]+ 210.01453 144.1
[M]- 210.01563 144.1
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.