CID 13411

1,2,4,5-tetrachloro-3,6-dimethylbenzene

Structural Information

Molecular Formula
C8H6Cl4
SMILES
CC1=C(C(=C(C(=C1Cl)Cl)C)Cl)Cl
InChI
InChI=1S/C8H6Cl4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
InChIKey
CTSQZGJZQUVGBQ-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3,6-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

241.92236 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92964 142.8
[M+Na]+ 264.91158 155.2
[M-H]- 240.91508 143.9
[M+NH4]+ 259.95618 162.0
[M+K]+ 280.88552 149.1
[M+H-H2O]+ 224.91962 141.2
[M+HCOO]- 286.92056 146.6
[M+CH3COO]- 300.93621 194.4
[M+Na-2H]- 262.89703 144.3
[M]+ 241.92181 145.7
[M]- 241.92291 145.7
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

No patent data available for this compound.