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

425
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

literature stripe

Patent stripe

patents stripe