CID 24212748

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

Structural Information

Molecular Formula
C12H10ClNOS
SMILES
CC1=CC(=CC=C1)NC(=O)C2=C(C=CS2)Cl
InChI
InChI=1S/C12H10ClNOS/c1-8-3-2-4-9(7-8)14-12(15)11-10(13)5-6-16-11/h2-7H,1H3,(H,14,15)
InChIKey
VTWLHSIIJINILC-UHFFFAOYSA-N
Compound name
3-chloro-N-(3-methylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.01717 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.02445 154.1
[M+Na]+ 274.00639 163.8
[M-H]- 250.00989 161.8
[M+NH4]+ 269.05099 174.6
[M+K]+ 289.98033 158.3
[M+H-H2O]+ 234.01443 148.8
[M+HCOO]- 296.01537 170.7
[M+CH3COO]- 310.03102 191.9
[M+Na-2H]- 271.99184 155.1
[M]+ 251.01662 157.9
[M]- 251.01772 157.9
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.