CID 24212751

853328-84-4

Structural Information

Molecular Formula
C13H12ClNOS
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=C(C=CS2)Cl)C
InChI
InChI=1S/C13H12ClNOS/c1-8-3-4-11(9(2)7-8)15-13(16)12-10(14)5-6-17-12/h3-7H,1-2H3,(H,15,16)
InChIKey
KEBAFZADSCDVEI-UHFFFAOYSA-N
Compound name
3-chloro-N-(2,4-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]+ 266.040076 158.3
[M+Na]+ 288.022018 168.4
[M-H]- 264.025524 166.2
[M+NH4]+ 283.066623 178.5
[M+K]+ 303.995958 162.6
[M+H-H2O]+ 248.030060 153.0
[M+HCOO]- 310.031001 174.5
[M+CH3COO]- 324.046651 196.0
[M+Na-2H]- 286.007466 158.1
[M]+ 265.03225142 162.8
[M]- 265.03334858 162.8
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.