CID 7567855

3-chloro-1-(thiophen-2-yl)propan-1-one

Structural Information

Molecular Formula
C7H7ClOS
SMILES
C1=CSC(=C1)C(=O)CCCl
InChI
InChI=1S/C7H7ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3-4H2
InChIKey
MSLOAFIOTOHDIE-UHFFFAOYSA-N
Compound name
3-chloro-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

173.99062 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99790 134.5
[M+Na]+ 196.97984 146.2
[M+NH4]+ 192.02444 144.3
[M+K]+ 212.95378 139.1
[M-H]- 172.98334 136.3
[M+Na-2H]- 194.96529 139.9
[M]+ 173.99007 137.3
[M]- 173.99117 137.3
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