CID 61327786

2-[2-(5-chlorothiophen-2-yl)ethoxy]acetic acid

Structural Information

Molecular Formula
C8H9ClO3S
SMILES
C1=C(SC(=C1)Cl)CCOCC(=O)O
InChI
InChI=1S/C8H9ClO3S/c9-7-2-1-6(13-7)3-4-12-5-8(10)11/h1-2H,3-5H2,(H,10,11)
InChIKey
JZLXDEBFOGAZGZ-UHFFFAOYSA-N
Compound name
2-[2-(5-chlorothiophen-2-yl)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.9961 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00338 145.0
[M+Na]+ 242.98532 155.3
[M+NH4]+ 238.02992 153.0
[M+K]+ 258.95926 149.5
[M-H]- 218.98882 145.2
[M+Na-2H]- 240.97077 148.4
[M]+ 219.99555 147.0
[M]- 219.99665 147.0
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

No patent data available for this compound.