CID 736482

119082-97-2

Structural Information

Molecular Formula
C10H7NO2S
SMILES
C1=CC=NC(=C1)C2=CC=C(S2)C(=O)O
InChI
InChI=1S/C10H7NO2S/c12-10(13)9-5-4-8(14-9)7-3-1-2-6-11-7/h1-6H,(H,12,13)
InChIKey
HQULGJDHOPDURG-UHFFFAOYSA-N
Compound name
5-pyridin-2-ylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

495
Patents

205.01974 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02702 141.5
[M+Na]+ 228.00896 150.8
[M-H]- 204.01246 146.6
[M+NH4]+ 223.05356 160.8
[M+K]+ 243.98290 147.2
[M+H-H2O]+ 188.01700 135.2
[M+HCOO]- 250.01794 159.9
[M+CH3COO]- 264.03359 178.9
[M+Na-2H]- 225.99441 143.7
[M]+ 205.01919 143.0
[M]- 205.02029 143.0
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