CID 25343315

3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C10H6F3NO2S
SMILES
CC1=C(SC2=C1C=CC(=N2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H6F3NO2S/c1-4-5-2-3-6(10(11,12)13)14-8(5)17-7(4)9(15)16/h2-3H,1H3,(H,15,16)
InChIKey
YQFPXXJYFPGXLY-UHFFFAOYSA-N
Compound name
3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.00714 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01442 156.1
[M+Na]+ 283.99636 165.0
[M+NH4]+ 279.04096 161.4
[M+K]+ 299.97030 160.5
[M-H]- 259.99986 152.0
[M+Na-2H]- 281.98181 158.1
[M]+ 261.00659 156.3
[M]- 261.00769 156.3
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

No patent data available for this compound.