CID 47002507

5-(2-chloroacetyl)-n,n-dimethylthiophene-3-carboxamide

Structural Information

Molecular Formula
C9H10ClNO2S
SMILES
CN(C)C(=O)C1=CSC(=C1)C(=O)CCl
InChI
InChI=1S/C9H10ClNO2S/c1-11(2)9(13)6-3-8(14-5-6)7(12)4-10/h3,5H,4H2,1-2H3
InChIKey
DPXQZHHTRROBHP-UHFFFAOYSA-N
Compound name
5-(2-chloroacetyl)-N,N-dimethylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.01208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.019356 149.8
[M+Na]+ 254.001298 158.1
[M-H]- 230.004804 155.5
[M+NH4]+ 249.045903 171.3
[M+K]+ 269.975238 155.6
[M+H-H2O]+ 214.009340 144.9
[M+HCOO]- 276.010281 165.3
[M+CH3COO]- 290.025931 191.7
[M+Na-2H]- 251.986746 148.7
[M]+ 231.01153142 155.6
[M]- 231.01262858 155.6
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.