CID 18516108

251996-86-8

Structural Information

Molecular Formula
C8H4ClNO2S
SMILES
C1=C(SC2=CN=CC(=C21)Cl)C(=O)O
InChI
InChI=1S/C8H4ClNO2S/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12/h1-3H,(H,11,12)
InChIKey
LLXSBUMTRUIFAL-UHFFFAOYSA-N
Compound name
4-chlorothieno[2,3-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

212.96513 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.97241 138.0
[M+Na]+ 235.95435 150.7
[M-H]- 211.95785 141.5
[M+NH4]+ 230.99895 159.6
[M+K]+ 251.92829 145.8
[M+H-H2O]+ 195.96239 134.0
[M+HCOO]- 257.96333 152.2
[M+CH3COO]- 271.97898 152.4
[M+Na-2H]- 233.93980 141.9
[M]+ 212.96458 144.0
[M]- 212.96568 144.0
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