CID 112804

1,1,1,3-tetrachloro-4-methylpentane

Structural Information

Molecular Formula
C6H10Cl4
SMILES
CC(C)C(CC(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C6H10Cl4/c1-4(2)5(7)3-6(8,9)10/h4-5H,3H2,1-2H3
InChIKey
NEPBEPYINQHTKZ-UHFFFAOYSA-N
Compound name
1,1,1,3-tetrachloro-4-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

221.95366 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96094 142.4
[M+Na]+ 244.94288 150.1
[M-H]- 220.94638 139.9
[M+NH4]+ 239.98748 161.3
[M+K]+ 260.91682 145.3
[M+H-H2O]+ 204.95092 141.4
[M+HCOO]- 266.95186 142.4
[M+CH3COO]- 280.96751 189.5
[M+Na-2H]- 242.92833 144.1
[M]+ 221.95311 143.1
[M]- 221.95421 143.1
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