CID 454743

[2,2':5',2''-terthiophene]-5-acetic acid

Structural Information

Molecular Formula
C14H10O2S3
SMILES
C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)CC(=O)O
InChI
InChI=1S/C14H10O2S3/c15-14(16)8-9-3-4-12(18-9)13-6-5-11(19-13)10-2-1-7-17-10/h1-7H,8H2,(H,15,16)
InChIKey
CKNPUFPUUQOAQY-UHFFFAOYSA-N
Compound name
2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.98428 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99156 171.7
[M+Na]+ 328.97350 184.2
[M-H]- 304.97700 182.0
[M+NH4]+ 324.01810 192.7
[M+K]+ 344.94744 178.3
[M+H-H2O]+ 288.98154 168.7
[M+HCOO]- 350.98248 183.9
[M+CH3COO]- 364.99813 184.6
[M+Na-2H]- 326.95895 167.2
[M]+ 305.98373 177.1
[M]- 305.98483 177.2
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.