CID 68104

2-fluorobenzotrichloride

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

211.93626 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94354 136.3
[M+Na]+ 234.92548 150.8
[M+NH4]+ 229.97008 145.7
[M+K]+ 250.89942 142.9
[M-H]- 210.92898 137.1
[M+Na-2H]- 232.91093 144.2
[M]+ 211.93571 139.6
[M]- 211.93681 139.6
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