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 149.0
[M+Na]+ 283.99636 161.3
[M-H]- 259.99986 148.6
[M+NH4]+ 279.04096 167.9
[M+K]+ 299.97030 156.7
[M+H-H2O]+ 244.00440 141.6
[M+HCOO]- 306.00534 162.2
[M+CH3COO]- 320.02099 190.7
[M+Na-2H]- 281.98181 150.9
[M]+ 261.00659 150.3
[M]- 261.00769 150.3
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.