CID 43140183

2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H4ClNO2S2
SMILES
C1=C(SC(=C1)Cl)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C8H4ClNO2S2/c9-6-2-1-5(14-6)7-10-4(3-13-7)8(11)12/h1-3H,(H,11,12)
InChIKey
GZHZOVKNUULZDF-UHFFFAOYSA-N
Compound name
2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.9372 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.94448 148.5
[M+Na]+ 267.92642 161.5
[M-H]- 243.92992 154.9
[M+NH4]+ 262.97102 169.7
[M+K]+ 283.90036 156.2
[M+H-H2O]+ 227.93446 144.7
[M+HCOO]- 289.93540 159.6
[M+CH3COO]- 303.95105 162.5
[M+Na-2H]- 265.91187 146.8
[M]+ 244.93665 154.9
[M]- 244.93775 154.9
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

No patent data available for this compound.