CID 92598

1,2-dichloro-4-(dichloromethyl)benzene

Structural Information

Molecular Formula
C7H4Cl4
SMILES
C1=CC(=C(C=C1C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H4Cl4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,7H
InChIKey
LLPBAWYATBAOQG-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-(dichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

227.90671 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.91399 139.0
[M+Na]+ 250.89593 149.1
[M-H]- 226.89943 139.4
[M+NH4]+ 245.94053 157.9
[M+K]+ 266.86987 143.3
[M+H-H2O]+ 210.90397 136.9
[M+HCOO]- 272.90491 142.2
[M+CH3COO]- 286.92056 189.3
[M+Na-2H]- 248.88138 141.9
[M]+ 227.90616 140.2
[M]- 227.90726 140.2
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

patents stripe