CID 62224548

Methyl 2-chloro-2-(thiophen-3-yl)acetate

Structural Information

Molecular Formula
C7H7ClO2S
SMILES
COC(=O)C(C1=CSC=C1)Cl
InChI
InChI=1S/C7H7ClO2S/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6H,1H3
InChIKey
GJZACWNBGIHSOZ-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-thiophen-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.98553 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.992806 137.8
[M+Na]+ 212.974748 146.8
[M-H]- 188.978254 142.2
[M+NH4]+ 208.019353 160.6
[M+K]+ 228.948688 144.2
[M+H-H2O]+ 172.982790 133.7
[M+HCOO]- 234.983731 152.5
[M+CH3COO]- 248.999381 177.3
[M+Na-2H]- 210.960196 138.5
[M]+ 189.98498142 142.7
[M]- 189.98607858 142.7
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.