CID 2760622

2-(thiophen-3-yl)acetyl chloride

Structural Information

Molecular Formula
C6H5ClOS
SMILES
C1=CSC=C1CC(=O)Cl
InChI
InChI=1S/C6H5ClOS/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2
InChIKey
KEYWOCXIPDAGCS-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

159.97496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.982236 129.7
[M+Na]+ 182.964178 139.5
[M-H]- 158.967684 134.1
[M+NH4]+ 178.008783 153.8
[M+K]+ 198.938118 136.2
[M+H-H2O]+ 142.972220 125.8
[M+HCOO]- 204.973161 145.5
[M+CH3COO]- 218.988811 172.2
[M+Na-2H]- 180.949626 131.9
[M]+ 159.97441142 133.4
[M]- 159.97550858 133.4
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