CID 14113884

2'-chloro-[2,3'-bithiophene]-5-carboxylic acid

Structural Information

Molecular Formula
C9H5ClO2S2
SMILES
C1=CSC(=C1C2=CC=C(S2)C(=O)O)Cl
InChI
InChI=1S/C9H5ClO2S2/c10-8-5(3-4-13-8)6-1-2-7(14-6)9(11)12/h1-4H,(H,11,12)
InChIKey
WAUWILDVRDJQOG-UHFFFAOYSA-N
Compound name
5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.94196 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.94924 150.3
[M+Na]+ 266.93118 162.9
[M-H]- 242.93468 157.9
[M+NH4]+ 261.97578 172.8
[M+K]+ 282.90512 157.3
[M+H-H2O]+ 226.93922 147.2
[M+HCOO]- 288.94016 162.3
[M+CH3COO]- 302.95581 164.5
[M+Na-2H]- 264.91663 148.3
[M]+ 243.94141 156.7
[M]- 243.94251 156.7
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

No patent data available for this compound.