CID 71587384

Arctic acid c

Structural Information

Molecular Formula
C13H10O3S2
SMILES
CC#CC1=CC=C(S1)C2=CC=C(S2)C(C(=O)O)O
InChI
InChI=1S/C13H10O3S2/c1-2-3-8-4-5-9(17-8)10-6-7-11(18-10)12(14)13(15)16/h4-7,12,14H,1H3,(H,15,16)
InChIKey
YUIKESNQNJLOMW-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.00714 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.01442 149.4
[M+Na]+ 300.99636 158.9
[M+NH4]+ 296.04096 153.7
[M+K]+ 316.97030 151.6
[M-H]- 276.99986 143.3
[M+Na-2H]- 298.98181 151.0
[M]+ 278.00659 148.9
[M]- 278.00769 148.9
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

No patent data available for this compound.