CID 16494

1-chloro-2-(trichloromethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

648
Patents

227.90671 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.91399 141.9
[M+Na]+ 250.89593 151.8
[M-H]- 226.89943 142.3
[M+NH4]+ 245.94053 160.6
[M+K]+ 266.86987 145.9
[M+H-H2O]+ 210.90397 139.4
[M+HCOO]- 272.90491 144.4
[M+CH3COO]- 286.92056 187.2
[M+Na-2H]- 248.88138 146.7
[M]+ 227.90616 142.6
[M]- 227.90726 142.6
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.