CID 2778382

5-chloro-4-methoxythiophene-3-carboxylic acid

Structural Information

Molecular Formula
C6H5ClO3S
SMILES
COC1=C(SC=C1C(=O)O)Cl
InChI
InChI=1S/C6H5ClO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)
InChIKey
CEOFOUVVEMMYDW-UHFFFAOYSA-N
Compound name
5-chloro-4-methoxythiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

191.9648 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.97208 136.3
[M+Na]+ 214.95402 147.3
[M+NH4]+ 209.99862 144.6
[M+K]+ 230.92796 142.2
[M-H]- 190.95752 136.5
[M+Na-2H]- 212.93947 140.0
[M]+ 191.96425 138.5
[M]- 191.96535 138.5
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

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