CID 2757925

29683-77-0

Structural Information

Molecular Formula
C6H5ClOS
SMILES
C1=CSC(=C1)C(=O)CCl
InChI
InChI=1S/C6H5ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChIKey
KHOWLHQEABZKNA-UHFFFAOYSA-N
Compound name
2-chloro-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

261
Patents

159.97496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.98224 130.1
[M+Na]+ 182.96418 142.0
[M+NH4]+ 178.00878 140.0
[M+K]+ 198.93812 135.1
[M-H]- 158.96768 131.9
[M+Na-2H]- 180.94963 135.7
[M]+ 159.97441 133.0
[M]- 159.97551 133.0
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