CID 13871

1,2,3,4-tetrachloro-5-methylbenzene

Structural Information

Molecular Formula
C7H4Cl4
SMILES
CC1=CC(=C(C(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H4Cl4/c1-3-2-4(8)6(10)7(11)5(3)9/h2H,1H3
InChIKey
ZLELNPSBDOUFHN-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachloro-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

449
Patents

227.90671 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.91399 139.0
[M+Na]+ 250.89593 151.0
[M-H]- 226.89943 139.9
[M+NH4]+ 245.94053 158.5
[M+K]+ 266.86987 145.0
[M+H-H2O]+ 210.90397 137.3
[M+HCOO]- 272.90491 143.1
[M+CH3COO]- 286.92056 190.6
[M+Na-2H]- 248.88138 141.6
[M]+ 227.90616 141.3
[M]- 227.90726 141.3
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

No patent data available for this compound.