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 174.5
[M+Na]+ 365.97289 183.9
[M-H]- 341.97639 181.8
[M+NH4]+ 361.01749 191.6
[M+K]+ 381.94683 177.9
[M+H-H2O]+ 325.98093 169.8
[M+HCOO]- 387.98187 185.0
[M+CH3COO]- 401.99752 206.7
[M+Na-2H]- 363.95834 172.5
[M]+ 342.98312 182.0
[M]- 342.98422 182.0
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.