CID 16226905

879361-74-7

Structural Information

Molecular Formula
C9H12ClNOS
SMILES
CC1=C(SC=C1)CN(C)C(=O)CCl
InChI
InChI=1S/C9H12ClNOS/c1-7-3-4-13-8(7)6-11(2)9(12)5-10/h3-4H,5-6H2,1-2H3
InChIKey
HOKKZQIVVHJFIS-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0328 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04008 147.4
[M+Na]+ 240.02202 158.0
[M+NH4]+ 235.06662 156.5
[M+K]+ 255.99596 151.5
[M-H]- 216.02552 149.6
[M+Na-2H]- 238.00747 152.1
[M]+ 217.03225 150.2
[M]- 217.03335 150.2
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.