CID 531925

N-(3-chlorophenyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C11H8ClNOS
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=CC=CS2
InChI
InChI=1S/C11H8ClNOS/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,(H,13,14)
InChIKey
FHTIWIPMVNMNHO-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

237.00151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.00879 149.5
[M+Na]+ 259.99073 162.5
[M+NH4]+ 255.03533 159.4
[M+K]+ 275.96467 154.6
[M-H]- 235.99423 154.2
[M+Na-2H]- 257.97618 157.8
[M]+ 237.00096 153.4
[M]- 237.00206 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe