CID 109086

1,1,1-trichloro-4-methyl-4-pentene

Structural Information

Molecular Formula
C6H9Cl3
SMILES
CC(=C)CCC(Cl)(Cl)Cl
InChI
InChI=1S/C6H9Cl3/c1-5(2)3-4-6(7,8)9/h1,3-4H2,2H3
InChIKey
VZHCRXGQIJPHGI-UHFFFAOYSA-N
Compound name
5,5,5-trichloro-2-methylpent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.97699 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98427 135.4
[M+Na]+ 208.96621 144.1
[M-H]- 184.96971 134.3
[M+NH4]+ 204.01081 156.4
[M+K]+ 224.94015 139.0
[M+H-H2O]+ 168.97425 134.0
[M+HCOO]- 230.97519 141.8
[M+CH3COO]- 244.99084 181.5
[M+Na-2H]- 206.95166 139.5
[M]+ 185.97644 137.0
[M]- 185.97754 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe