CID 71669405

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

Structural Information

Molecular Formula
C7H2Cl2F4O
SMILES
C1=C(C=C(C(=C1Cl)OC(F)(F)F)Cl)F
InChI
InChI=1S/C7H2Cl2F4O/c8-4-1-3(10)2-5(9)6(4)14-7(11,12)13/h1-2H
InChIKey
QYLAKTXSONCQBV-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-fluoro-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.94188 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.949156 136.2
[M+Na]+ 270.931098 149.0
[M-H]- 246.934604 135.1
[M+NH4]+ 265.975703 155.5
[M+K]+ 286.905038 143.4
[M+H-H2O]+ 230.939140 129.8
[M+HCOO]- 292.940081 146.4
[M+CH3COO]- 306.955731 190.1
[M+Na-2H]- 268.916546 140.8
[M]+ 247.94133142 135.9
[M]- 247.94242858 135.9
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.