CID 2386039

554404-40-9

Structural Information

Molecular Formula
C15H13Cl2NO3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CCl
InChI
InChI=1S/C15H13Cl2NO3S/c1-2-21-15(20)13-10(9-5-3-4-6-11(9)17)8-22-14(13)18-12(19)7-16/h3-6,8H,2,7H2,1H3,(H,18,19)
InChIKey
USUXGYMILPVEBX-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]-4-(2-chlorophenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.99933 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.00661 179.0
[M+Na]+ 379.98855 187.9
[M-H]- 355.99205 186.1
[M+NH4]+ 375.03315 195.5
[M+K]+ 395.96249 181.7
[M+H-H2O]+ 339.99659 174.1
[M+HCOO]- 401.99753 189.1
[M+CH3COO]- 416.01318 209.6
[M+Na-2H]- 377.97400 176.5
[M]+ 356.99878 186.8
[M]- 356.99988 186.8
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.