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]+ 296.860516 152.8
[M+Na]+ 318.842458 163.1
[M-H]- 294.845964 150.6
[M+NH4]+ 313.887063 168.4
[M+K]+ 334.816398 157.8
[M+H-H2O]+ 278.850500 150.1
[M+HCOO]- 340.851441 149.1
[M+CH3COO]- 354.867091 199.9
[M+Na-2H]- 316.827906 154.2
[M]+ 295.85269142 152.8
[M]- 295.85378858 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.