CID 2736770

4-(4-methoxyphenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C12H10O3S
SMILES
COC1=CC=C(C=C1)C2=CSC(=C2)C(=O)O
InChI
InChI=1S/C12H10O3S/c1-15-10-4-2-8(3-5-10)9-6-11(12(13)14)16-7-9/h2-7H,1H3,(H,13,14)
InChIKey
NWNYSAILYSWCEI-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

234.03506 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04234 149.7
[M+Na]+ 257.02428 158.7
[M-H]- 233.02778 156.2
[M+NH4]+ 252.06888 169.4
[M+K]+ 272.99822 155.4
[M+H-H2O]+ 217.03232 144.0
[M+HCOO]- 279.03326 168.9
[M+CH3COO]- 293.04891 185.5
[M+Na-2H]- 255.00973 150.4
[M]+ 234.03451 153.3
[M]- 234.03561 153.3
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