CID 17175

1,1,1,5-tetrachloropentane

Structural Information

Molecular Formula
C5H8Cl4
SMILES
C(CCCl)CC(Cl)(Cl)Cl
InChI
InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2
InChIKey
VZEWJVRACUZHQR-UHFFFAOYSA-N
Compound name
1,1,1,5-tetrachloropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

207.938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.94528 140.8
[M+Na]+ 230.92722 149.2
[M-H]- 206.93072 138.0
[M+NH4]+ 225.97182 160.2
[M+K]+ 246.90116 143.9
[M+H-H2O]+ 190.93526 139.5
[M+HCOO]- 252.93620 142.5
[M+CH3COO]- 266.95185 185.3
[M+Na-2H]- 228.91267 144.8
[M]+ 207.93745 141.9
[M]- 207.93855 141.9
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