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

340
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

literature stripe

Patent stripe

patents stripe