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
3
Annotation Hits

0
References

2178
Patents

179.90671 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.913986 129.0
[M+Na]+ 202.895928 137.2
[M-H]- 178.899434 126.3
[M+NH4]+ 197.940533 149.1
[M+K]+ 218.869868 132.9
[M+H-H2O]+ 162.903970 128.2
[M+HCOO]- 224.904911 131.1
[M+CH3COO]- 238.920561 181.6
[M+Na-2H]- 200.881376 131.6
[M]+ 179.90616142 129.0
[M]- 179.90725858 129.0
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