CID 71669440

1,3-dichloro-5-fluoro-2-(trichloromethoxy)benzene

Structural Information

Molecular Formula
C7H2Cl5FO
SMILES
C1=C(C=C(C(=C1Cl)OC(Cl)(Cl)Cl)Cl)F
InChI
InChI=1S/C7H2Cl5FO/c8-4-1-3(13)2-5(9)6(4)14-7(10,11)12/h1-2H
InChIKey
WTTACXODBXFDAP-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-fluoro-2-(trichloromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.85324 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.86052 152.8
[M+Na]+ 318.84246 163.1
[M-H]- 294.84596 150.6
[M+NH4]+ 313.88706 168.4
[M+K]+ 334.81640 157.8
[M+H-H2O]+ 278.85050 150.1
[M+HCOO]- 340.85144 149.1
[M+CH3COO]- 354.86709 199.9
[M+Na-2H]- 316.82791 154.2
[M]+ 295.85269 152.8
[M]- 295.85379 152.8
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.