CID 129960120

1-chloro-2-(difluoromethoxy)-3-iodobenzene

Structural Information

Molecular Formula
C7H4ClF2IO
SMILES
C1=CC(=C(C(=C1)I)OC(F)F)Cl
InChI
InChI=1S/C7H4ClF2IO/c8-4-2-1-3-5(11)6(4)12-7(9)10/h1-3,7H
InChIKey
OINNZYFHFXKCOX-UHFFFAOYSA-N
Compound name
1-chloro-2-(difluoromethoxy)-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.89636 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.90364 137.1
[M+Na]+ 326.88558 140.4
[M-H]- 302.88908 131.7
[M+NH4]+ 321.93018 152.7
[M+K]+ 342.85952 142.7
[M+H-H2O]+ 286.89362 127.5
[M+HCOO]- 348.89456 150.0
[M+CH3COO]- 362.91021 191.0
[M+Na-2H]- 324.87103 130.2
[M]+ 303.89581 135.2
[M]- 303.89691 135.2
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.