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-chloropyridin-2-yl)-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]+ 240.98331 146.2
[M+Na]+ 262.96525 157.4
[M-H]- 238.96875 150.3
[M+NH4]+ 258.00985 163.9
[M+K]+ 278.93919 152.3
[M+H-H2O]+ 222.97329 140.1
[M+HCOO]- 284.97423 158.9
[M+CH3COO]- 298.98988 159.2
[M+Na-2H]- 260.95070 147.7
[M]+ 239.97548 150.1
[M]- 239.97658 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