CID 24212760

3-chloro-n-(4-methoxybenzyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C13H12ClNO2S
SMILES
COC1=CC=C(C=C1)CNC(=O)C2=C(C=CS2)Cl
InChI
InChI=1S/C13H12ClNO2S/c1-17-10-4-2-9(3-5-10)8-15-13(16)12-11(14)6-7-18-12/h2-7H,8H2,1H3,(H,15,16)
InChIKey
FJKLBQNYJYKGBT-UHFFFAOYSA-N
Compound name
3-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.02774 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03502 161.8
[M+Na]+ 304.01696 170.8
[M-H]- 280.02046 169.3
[M+NH4]+ 299.06156 180.9
[M+K]+ 319.99090 165.6
[M+H-H2O]+ 264.02500 156.1
[M+HCOO]- 326.02594 178.2
[M+CH3COO]- 340.04159 196.9
[M+Na-2H]- 302.00241 162.4
[M]+ 281.02719 167.3
[M]- 281.02829 167.3
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.