CID 137442

2142-31-6

Structural Information

Molecular Formula
C8H2Cl8
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)C(Cl)Cl)Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C8H2Cl8/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h7-8H
InChIKey
ZKNMSFSDCQDMAU-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3,6-bis(dichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

377.76648 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.77376 181.7
[M+Na]+ 400.75570 186.5
[M-H]- 376.75920 173.0
[M+NH4]+ 395.80030 189.7
[M+K]+ 416.72964 184.8
[M+H-H2O]+ 360.76374 179.7
[M+HCOO]- 422.76468 163.6
[M+CH3COO]- 436.78033 220.7
[M+Na-2H]- 398.74115 172.8
[M]+ 377.76593 172.3
[M]- 377.76703 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe