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

1546
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 131.9
[M+Na]+ 202.89593 141.0
[M-H]- 178.89943 129.4
[M+NH4]+ 197.94053 152.3
[M+K]+ 218.86987 136.3
[M+H-H2O]+ 162.90397 131.0
[M+HCOO]- 224.90491 134.2
[M+CH3COO]- 238.92056 179.8
[M+Na-2H]- 200.88138 136.9
[M]+ 179.90616 132.3
[M]- 179.90726 132.3
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