CID 132398564

Methyl 5-chloro-4-(chloromethyl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C7H6Cl2O2S
SMILES
COC(=O)C1=CC(=C(S1)Cl)CCl
InChI
InChI=1S/C7H6Cl2O2S/c1-11-7(10)5-2-4(3-8)6(9)12-5/h2H,3H2,1H3
InChIKey
SFNYEXYYNLDDSF-UHFFFAOYSA-N
Compound name
methyl 5-chloro-4-(chloromethyl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.94655 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95383 144.2
[M+Na]+ 246.93577 156.6
[M+NH4]+ 241.98037 153.3
[M+K]+ 262.90971 149.7
[M-H]- 222.93927 145.3
[M+Na-2H]- 244.92122 148.6
[M]+ 223.94600 147.2
[M]- 223.94710 147.2
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.