CID 156381

Chlorophenyldichlorofluoromethane

Structural Information

Molecular Formula
C7H4Cl3F
SMILES
C1=CC=C(C(=C1)C(F)(Cl)Cl)Cl
InChI
InChI=1S/C7H4Cl3F/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey
BPLLTHRIMHROHA-UHFFFAOYSA-N
Compound name
1-chloro-2-[dichloro(fluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.93626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94354 136.2
[M+Na]+ 234.92548 150.7
[M+NH4]+ 229.97008 145.6
[M+K]+ 250.89942 142.8
[M-H]- 210.92898 137.0
[M+Na-2H]- 232.91093 144.1
[M]+ 211.93571 139.5
[M]- 211.93681 139.5
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