CID 13153

2,3,3-trichloroacryloyl chloride

Structural Information

Molecular Formula
C3Cl4O
SMILES
C(=C(Cl)Cl)(C(=O)Cl)Cl
InChI
InChI=1S/C3Cl4O/c4-1(2(5)6)3(7)8
InChIKey
BCOSEZGCLGPUSL-UHFFFAOYSA-N
Compound name
2,3,3-trichloroprop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

3039
Patents

191.87033 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.87761 128.3
[M+Na]+ 214.85955 137.1
[M-H]- 190.86305 126.1
[M+NH4]+ 209.90415 148.0
[M+K]+ 230.83349 132.5
[M+H-H2O]+ 174.86759 127.9
[M+HCOO]- 236.86853 130.4
[M+CH3COO]- 250.88418 181.8
[M+Na-2H]- 212.84500 130.0
[M]+ 191.86978 128.1
[M]- 191.87088 128.1
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