CID 33785597

5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C10H8O3S
SMILES
CC1=CC=C(O1)C2=CC=C(S2)C(=O)O
InChI
InChI=1S/C10H8O3S/c1-6-2-3-7(13-6)8-4-5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey
JSMYBMVEUSDVSN-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.01941 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.026686 142.4
[M+Na]+ 231.008628 153.6
[M-H]- 207.012134 150.6
[M+NH4]+ 226.053233 164.0
[M+K]+ 246.982568 152.0
[M+H-H2O]+ 191.016670 138.3
[M+HCOO]- 253.017611 163.7
[M+CH3COO]- 267.033261 179.6
[M+Na-2H]- 228.994076 143.4
[M]+ 208.01886142 148.2
[M]- 208.01995858 148.2
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