CID 11313832

Benzene, 1,3-dichloro-5-(1,3,3,3-tetrachloro-1-methylpropyl)-

Structural Information

Molecular Formula
C10H8Cl6
SMILES
CC(CC(Cl)(Cl)Cl)(C1=CC(=CC(=C1)Cl)Cl)Cl
InChI
InChI=1S/C10H8Cl6/c1-9(13,5-10(14,15)16)6-2-7(11)4-8(12)3-6/h2-4H,5H2,1H3
InChIKey
DELZPCKTBPIBEE-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-(2,4,4,4-tetrachlorobutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

337.8757 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.88298 174.4
[M+Na]+ 360.86492 181.6
[M-H]- 336.86842 170.6
[M+NH4]+ 355.90952 186.9
[M+K]+ 376.83886 176.4
[M+H-H2O]+ 320.87296 171.4
[M+HCOO]- 382.87390 163.6
[M+CH3COO]- 396.88955 209.3
[M+Na-2H]- 358.85037 173.2
[M]+ 337.87515 171.3
[M]- 337.87625 171.3
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

patents stripe