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]+ 190.99281 137.8
[M+Na]+ 212.97475 146.8
[M-H]- 188.97825 142.2
[M+NH4]+ 208.01935 160.6
[M+K]+ 228.94869 144.2
[M+H-H2O]+ 172.98279 133.7
[M+HCOO]- 234.98373 152.5
[M+CH3COO]- 248.99938 177.3
[M+Na-2H]- 210.96020 138.5
[M]+ 189.98498 142.7
[M]- 189.98608 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.