CID 14056

1,1,1,3-tetrachloropropane

Structural Information

Molecular Formula
C3H4Cl4
SMILES
C(CCl)C(Cl)(Cl)Cl
InChI
InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2
InChIKey
UTACNSITJSJFHA-UHFFFAOYSA-N
Compound name
1,1,1,3-tetrachloropropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1382
Patents

179.90671 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.91399 134.6
[M+Na]+ 202.89593 147.3
[M+NH4]+ 197.94053 143.5
[M+K]+ 218.86987 140.0
[M-H]- 178.89943 133.8
[M+Na-2H]- 200.88138 139.7
[M]+ 179.90616 137.3
[M]- 179.90726 137.3
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