CID 199666

4714-30-1

Structural Information

Molecular Formula
C8H5Cl5
SMILES
C1=CC(=CC=C1C(C(Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H5Cl5/c9-6-3-1-5(2-4-6)7(10)8(11,12)13/h1-4,7H
InChIKey
AKZMYVMRQFGDOS-UHFFFAOYSA-N
Compound name
1-chloro-4-(1,2,2,2-tetrachloroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

275.8834 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.89068 153.6
[M+Na]+ 298.87262 161.8
[M-H]- 274.87612 151.9
[M+NH4]+ 293.91722 169.4
[M+K]+ 314.84656 156.2
[M+H-H2O]+ 258.88066 151.2
[M+HCOO]- 320.88160 149.4
[M+CH3COO]- 334.89725 197.2
[M+Na-2H]- 296.85807 155.0
[M]+ 275.88285 152.4
[M]- 275.88395 152.4
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