CID 12373550

2-chloro-1-(3-chlorothiophen-2-yl)ethanone

Structural Information

Molecular Formula
C6H4Cl2OS
SMILES
C1=CSC(=C1Cl)C(=O)CCl
InChI
InChI=1S/C6H4Cl2OS/c7-3-5(9)6-4(8)1-2-10-6/h1-2H,3H2
InChIKey
ZTDGLHLVCVWTRQ-UHFFFAOYSA-N
Compound name
2-chloro-1-(3-chlorothiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.93599 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.943266 135.4
[M+Na]+ 216.925208 146.2
[M-H]- 192.928714 139.5
[M+NH4]+ 211.969813 158.6
[M+K]+ 232.899148 141.5
[M+H-H2O]+ 176.933250 132.5
[M+HCOO]- 238.934191 146.0
[M+CH3COO]- 252.949841 178.1
[M+Na-2H]- 214.910656 136.3
[M]+ 193.93544142 140.2
[M]- 193.93653858 140.2
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

patents stripe