CID 121232962

Dtxsid701045452

Structural Information

Molecular Formula
C13H21Cl7
SMILES
CCC(CCC(C(C(CC(C(C(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H21Cl7/c1-3-8(15)4-5-9(16)13(20)11(18)6-10(17)12(19)7(2)14/h7-13H,3-6H2,1-2H3
InChIKey
HVAZUEGTYITCDZ-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,11-heptachlorotridecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

421.9463 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.953576 185.9
[M+Na]+ 444.935518 186.7
[M-H]- 420.939024 177.0
[M+NH4]+ 439.980123 194.0
[M+K]+ 460.909458 183.1
[M+H-H2O]+ 404.943560 184.8
[M+HCOO]- 466.944501 167.6
[M+CH3COO]- 480.960151 227.9
[M+Na-2H]- 442.920966 174.8
[M]+ 421.94575142 180.3
[M]- 421.94684858 180.3
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

No patent data available for this compound.