CID 7018632

4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C14H14O2S
SMILES
CCC1=C(SC(=C1)C(=O)O)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H14O2S/c1-3-10-8-12(14(15)16)17-13(10)11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKey
KUUFNHKWKCKRDQ-UHFFFAOYSA-N
Compound name
4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07146 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07874 155.6
[M+Na]+ 269.06068 168.3
[M+NH4]+ 264.10528 164.4
[M+K]+ 285.03462 161.4
[M-H]- 245.06418 159.2
[M+Na-2H]- 267.04613 162.0
[M]+ 246.07091 159.0
[M]- 246.07201 159.0
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.