CID 129960680

1-(difluoromethoxy)-3-fluoro-5-iodobenzene

Structural Information

Molecular Formula
C7H4F3IO
SMILES
C1=C(C=C(C=C1F)I)OC(F)F
InChI
InChI=1S/C7H4F3IO/c8-4-1-5(11)3-6(2-4)12-7(9)10/h1-3,7H
InChIKey
HFMWPLUFPWOTEX-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-3-fluoro-5-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.9259 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.93318 136.3
[M+Na]+ 310.91512 138.9
[M-H]- 286.91862 129.8
[M+NH4]+ 305.95972 151.6
[M+K]+ 326.88906 142.7
[M+H-H2O]+ 270.92316 125.0
[M+HCOO]- 332.92410 152.4
[M+CH3COO]- 346.93975 190.1
[M+Na-2H]- 308.90057 129.0
[M]+ 287.92535 131.3
[M]- 287.92645 131.3
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.