CID 29108

1,1,2,3-tetrachloropropane

Structural Information

Molecular Formula
C3H4Cl4
SMILES
C(C(C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2
InChIKey
BUQMVYQMVLAYRU-UHFFFAOYSA-N
Compound name
1,1,2,3-tetrachloropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1780
Patents

179.90671 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.91399 132.6
[M+Na]+ 202.89593 145.0
[M+NH4]+ 197.94053 141.5
[M+K]+ 218.86987 138.1
[M-H]- 178.89943 131.9
[M+Na-2H]- 200.88138 137.3
[M]+ 179.90616 135.2
[M]- 179.90726 135.2
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