CID 66760717

4-fluorothieno[2,3-c]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H4FNO2S
SMILES
C1=C(SC2=C1C(=CN=C2)F)C(=O)O
InChI
InChI=1S/C8H4FNO2S/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12/h1-3H,(H,11,12)
InChIKey
HKXMBOHBJLYPJD-UHFFFAOYSA-N
Compound name
4-fluorothieno[2,3-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

196.99467 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00195 134.1
[M+Na]+ 219.98389 146.1
[M-H]- 195.98739 136.2
[M+NH4]+ 215.02849 155.4
[M+K]+ 235.95783 142.4
[M+H-H2O]+ 179.99193 128.2
[M+HCOO]- 241.99287 151.8
[M+CH3COO]- 256.00852 178.3
[M+Na-2H]- 217.96934 137.9
[M]+ 196.99412 137.1
[M]- 196.99522 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe