CID 6537498

2,3,4,5,6,8-hexachlorodecane

Structural Information

Molecular Formula
C10H16Cl6
SMILES
CCC(CC(C(C(C(C(C)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H16Cl6/c1-3-6(12)4-7(13)9(15)10(16)8(14)5(2)11/h5-10H,3-4H2,1-2H3
InChIKey
GJGHBJCMOWRRSZ-UHFFFAOYSA-N
Compound name
2,3,4,5,6,8-hexachlorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

345.93832 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.94560 168.3
[M+Na]+ 368.92754 171.5
[M-H]- 344.93104 161.6
[M+NH4]+ 363.97214 180.2
[M+K]+ 384.90148 167.3
[M+H-H2O]+ 328.93558 167.5
[M+HCOO]- 390.93652 155.6
[M+CH3COO]- 404.95217 215.3
[M+Na-2H]- 366.91299 160.8
[M]+ 345.93777 165.0
[M]- 345.93887 165.0
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