CID 137944091

5-fluoro-4-formyl-1-benzothiophene-2-carboxylic acid

Structural Information

Molecular Formula
C10H5FO3S
SMILES
C1=CC2=C(C=C(S2)C(=O)O)C(=C1F)C=O
InChI
InChI=1S/C10H5FO3S/c11-7-1-2-8-5(6(7)4-12)3-9(15-8)10(13)14/h1-4H,(H,13,14)
InChIKey
KQTVIEKTSACAEA-UHFFFAOYSA-N
Compound name
5-fluoro-4-formyl-1-benzothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.99434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00162 145.0
[M+Na]+ 246.98356 156.7
[M+NH4]+ 242.02816 152.7
[M+K]+ 262.95750 151.0
[M-H]- 222.98706 144.7
[M+Na-2H]- 244.96901 149.0
[M]+ 223.99379 146.9
[M]- 223.99489 146.9
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.