CID 43444870

3-(5-chlorothiophen-2-yl)-2-oxopropanoic acid

Structural Information

Molecular Formula
C7H5ClO3S
SMILES
C1=C(SC(=C1)Cl)CC(=O)C(=O)O
InChI
InChI=1S/C7H5ClO3S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2H,3H2,(H,10,11)
InChIKey
FWYPQLOKGMSHKB-UHFFFAOYSA-N
Compound name
3-(5-chlorothiophen-2-yl)-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.9648 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.97208 140.4
[M+Na]+ 226.95402 150.6
[M+NH4]+ 221.99862 148.2
[M+K]+ 242.92796 145.8
[M-H]- 202.95752 140.2
[M+Na-2H]- 224.93947 143.7
[M]+ 203.96425 142.3
[M]- 203.96535 142.3
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