CID 16226822

874623-18-4

Structural Information

Molecular Formula
C10H12ClNO2S
SMILES
CC(C(=O)C1=CC=C(S1)CNC(=O)C)Cl
InChI
InChI=1S/C10H12ClNO2S/c1-6(11)10(14)9-4-3-8(15-9)5-12-7(2)13/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKey
KJXLARRXWVTLGH-UHFFFAOYSA-N
Compound name
N-[[5-(2-chloropropanoyl)thiophen-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02773 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03501 154.5
[M+Na]+ 268.01695 162.0
[M-H]- 244.02045 158.6
[M+NH4]+ 263.06155 174.8
[M+K]+ 283.99089 158.3
[M+H-H2O]+ 228.02499 149.8
[M+HCOO]- 290.02593 168.3
[M+CH3COO]- 304.04158 192.1
[M+Na-2H]- 266.00240 152.5
[M]+ 245.02718 158.8
[M]- 245.02828 158.8
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.