CID 24212749

3-chloro-n-(2,6-dimethylphenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C13H12ClNOS
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=CS2)Cl
InChI
InChI=1S/C13H12ClNOS/c1-8-4-3-5-9(2)11(8)15-13(16)12-10(14)6-7-17-12/h3-7H,1-2H3,(H,15,16)
InChIKey
PBZCYFKWVBKEGK-UHFFFAOYSA-N
Compound name
3-chloro-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04008 158.7
[M+Na]+ 288.02202 172.1
[M+NH4]+ 283.06662 168.2
[M+K]+ 303.99596 164.0
[M-H]- 264.02552 163.5
[M+Na-2H]- 286.00747 166.0
[M]+ 265.03225 162.7
[M]- 265.03335 162.7
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.