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]+ 209.02669 142.4
[M+Na]+ 231.00863 153.6
[M-H]- 207.01213 150.6
[M+NH4]+ 226.05323 164.0
[M+K]+ 246.98257 152.0
[M+H-H2O]+ 191.01667 138.3
[M+HCOO]- 253.01761 163.7
[M+CH3COO]- 267.03326 179.6
[M+Na-2H]- 228.99408 143.4
[M]+ 208.01886 148.2
[M]- 208.01996 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