CID 5324889

1,1,3,3-tetrachloropropene

Structural Information

Molecular Formula
C3H2Cl4
SMILES
C(=C(Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C3H2Cl4/c4-2(5)1-3(6)7/h1-2H
InChIKey
XPIGFCKQOOBTLK-UHFFFAOYSA-N
Compound name
1,1,3,3-tetrachloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1859
Patents

177.89107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.89835 128.4
[M+Na]+ 200.88029 137.0
[M-H]- 176.88379 125.8
[M+NH4]+ 195.92489 148.6
[M+K]+ 216.85423 132.1
[M+H-H2O]+ 160.88833 127.7
[M+HCOO]- 222.88927 130.7
[M+CH3COO]- 236.90492 180.1
[M+Na-2H]- 198.86574 131.0
[M]+ 177.89052 127.7
[M]- 177.89162 127.7
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