CID 611201

84473-83-6

Structural Information

Molecular Formula
C7H3Cl4F
SMILES
C1=CC(=C(C(=C1)Cl)C(Cl)(Cl)Cl)F
InChI
InChI=1S/C7H3Cl4F/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H
InChIKey
PNAGDDZKFJHOOK-UHFFFAOYSA-N
Compound name
1-chloro-3-fluoro-2-(trichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

245.8973 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.904576 142.3
[M+Na]+ 268.886518 153.1
[M-H]- 244.890024 141.8
[M+NH4]+ 263.931123 160.7
[M+K]+ 284.860458 146.9
[M+H-H2O]+ 228.894560 139.3
[M+HCOO]- 290.895501 144.0
[M+CH3COO]- 304.911151 190.7
[M+Na-2H]- 266.871966 146.2
[M]+ 245.89675142 142.5
[M]- 245.89784858 142.5
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