CID 214321

1,2,4,5-tetrachloro-3-(dichloromethyl)-6-methylbenzene

Structural Information

Molecular Formula
C8H4Cl6
SMILES
CC1=C(C(=C(C(=C1Cl)Cl)C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H4Cl6/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h8H,1H3
InChIKey
HOHVUOKYQMRVDO-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3-(dichloromethyl)-6-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

225
Patents

309.84442 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.85170 160.4
[M+Na]+ 332.83364 169.5
[M-H]- 308.83714 156.8
[M+NH4]+ 327.87824 174.3
[M+K]+ 348.80758 164.9
[M+H-H2O]+ 292.84168 158.9
[M+HCOO]- 354.84262 152.2
[M+CH3COO]- 368.85827 207.8
[M+Na-2H]- 330.81909 156.9
[M]+ 309.84387 158.1
[M]- 309.84497 158.1
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