CID 71695382

2-(3-chloropyridin-2-yl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H5ClN2O2S
SMILES
C1=CC(=C(N=C1)C2=NC(=CS2)C(=O)O)Cl
InChI
InChI=1S/C9H5ClN2O2S/c10-5-2-1-3-11-7(5)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
InChIKey
PFQCDHYYSGJDBQ-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.97603 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.983306 146.2
[M+Na]+ 262.965248 157.4
[M-H]- 238.968754 150.3
[M+NH4]+ 258.009853 163.9
[M+K]+ 278.939188 152.3
[M+H-H2O]+ 222.973290 140.1
[M+HCOO]- 284.974231 158.9
[M+CH3COO]- 298.989881 159.2
[M+Na-2H]- 260.950696 147.7
[M]+ 239.97548142 150.1
[M]- 239.97657858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe