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 147.5
[M+Na]+ 240.02202 156.0
[M-H]- 216.02552 153.1
[M+NH4]+ 235.06662 169.9
[M+K]+ 255.99596 153.2
[M+H-H2O]+ 200.03006 142.6
[M+HCOO]- 262.03100 163.6
[M+CH3COO]- 276.04665 189.8
[M+Na-2H]- 238.00747 147.3
[M]+ 217.03225 153.1
[M]- 217.03335 153.1
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.