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]+ 248.94916 136.2
[M+Na]+ 270.93110 149.0
[M-H]- 246.93460 135.1
[M+NH4]+ 265.97570 155.5
[M+K]+ 286.90504 143.4
[M+H-H2O]+ 230.93914 129.8
[M+HCOO]- 292.94008 146.4
[M+CH3COO]- 306.95573 190.1
[M+Na-2H]- 268.91655 140.8
[M]+ 247.94133 135.9
[M]- 247.94243 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.