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 142.2
[M+Na]+ 246.93577 153.3
[M-H]- 222.93927 146.6
[M+NH4]+ 241.98037 164.6
[M+K]+ 262.90971 148.9
[M+H-H2O]+ 206.94381 139.4
[M+HCOO]- 268.94475 152.8
[M+CH3COO]- 282.96040 183.4
[M+Na-2H]- 244.92122 142.1
[M]+ 223.94600 149.1
[M]- 223.94710 149.1
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.