CID 13411287

5-chloro-n-methylthiophene-2-carboxamide

Structural Information

Molecular Formula
C6H6ClNOS
SMILES
CNC(=O)C1=CC=C(S1)Cl
InChI
InChI=1S/C6H6ClNOS/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9)
InChIKey
MMUAGEONOOXRBQ-UHFFFAOYSA-N
Compound name
5-chloro-N-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

174.98586 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.99314 133.7
[M+Na]+ 197.97508 143.4
[M-H]- 173.97858 138.3
[M+NH4]+ 193.01968 157.1
[M+K]+ 213.94902 139.9
[M+H-H2O]+ 157.98312 129.6
[M+HCOO]- 219.98406 150.4
[M+CH3COO]- 233.99971 177.3
[M+Na-2H]- 195.96053 135.7
[M]+ 174.98531 136.9
[M]- 174.98641 136.9
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