CID 24212753

3-chloro-n-(3-chlorophenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C11H7Cl2NOS
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CS2)Cl
InChI
InChI=1S/C11H7Cl2NOS/c12-7-2-1-3-8(6-7)14-11(15)10-9(13)4-5-16-10/h1-6H,(H,14,15)
InChIKey
BSTMOBDJENWIGK-UHFFFAOYSA-N
Compound name
3-chloro-N-(3-chlorophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.96255 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.96983 156.5
[M+Na]+ 293.95177 166.8
[M-H]- 269.95527 163.6
[M+NH4]+ 288.99637 176.4
[M+K]+ 309.92571 160.3
[M+H-H2O]+ 253.95981 152.0
[M+HCOO]- 315.96075 168.2
[M+CH3COO]- 329.97640 169.4
[M+Na-2H]- 291.93722 157.1
[M]+ 270.96200 160.9
[M]- 270.96310 160.9
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.