CID 121232961

Witaclor 350

Structural Information

Molecular Formula
C15H26Cl6
SMILES
CC(CC(CC(CCCC(CC(CC(C)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H26Cl6/c1-10(16)6-14(20)8-12(18)4-3-5-13(19)9-15(21)7-11(2)17/h10-15H,3-9H2,1-2H3
InChIKey
UNUODZXWGYJEJA-UHFFFAOYSA-N
Compound name
2,4,6,10,12,14-hexachloropentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

416.01657 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.02385 188.1
[M+Na]+ 439.00579 189.7
[M-H]- 415.00929 180.8
[M+NH4]+ 434.05039 197.8
[M+K]+ 454.97973 184.4
[M+H-H2O]+ 399.01383 186.5
[M+HCOO]- 461.01477 174.1
[M+CH3COO]- 475.03042 226.8
[M+Na-2H]- 436.99124 178.3
[M]+ 416.01602 186.5
[M]- 416.01712 186.5
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