CID 7010308

3,4,5-trichlorothiophene-2-carbonyl chloride

Structural Information

Molecular Formula
C5Cl4OS
SMILES
C1(=C(SC(=C1Cl)Cl)C(=O)Cl)Cl
InChI
InChI=1S/C5Cl4OS/c6-1-2(7)5(9)11-3(1)4(8)10
InChIKey
ASESVIHJSOBINF-UHFFFAOYSA-N
Compound name
3,4,5-trichlorothiophene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

247.84239 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.84967 144.8
[M+Na]+ 270.83161 156.2
[M-H]- 246.83511 146.8
[M+NH4]+ 265.87621 165.2
[M+K]+ 286.80555 150.8
[M+H-H2O]+ 230.83965 143.6
[M+HCOO]- 292.84059 144.6
[M+CH3COO]- 306.85624 189.3
[M+Na-2H]- 268.81706 142.5
[M]+ 247.84184 148.2
[M]- 247.84294 148.2
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