CID 25323351

Methyl 2-(2-chloroacetamido)-4-(2-chlorophenyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C14H11Cl2NO3S
SMILES
COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CCl
InChI
InChI=1S/C14H11Cl2NO3S/c1-20-14(19)12-9(8-4-2-3-5-10(8)16)7-21-13(12)17-11(18)6-15/h2-5,7H,6H2,1H3,(H,17,18)
InChIKey
FDMNMCYYOMEILT-UHFFFAOYSA-N
Compound name
methyl 2-[(2-chloroacetyl)amino]-4-(2-chlorophenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.98367 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.99095 175.3
[M+Na]+ 365.97289 187.6
[M+NH4]+ 361.01749 183.1
[M+K]+ 381.94683 180.4
[M-H]- 341.97639 178.3
[M+Na-2H]- 363.95834 181.0
[M]+ 342.98312 178.8
[M]- 342.98422 178.8
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.