CID 2774115

1-(difluoromethoxy)-3-iodo-benzene

Structural Information

Molecular Formula
C7H5F2IO
SMILES
C1=CC(=CC(=C1)I)OC(F)F
InChI
InChI=1S/C7H5F2IO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7H
InChIKey
CZRNNLKRPRATMF-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

269.93533 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.94261 135.5
[M+Na]+ 292.92455 137.1
[M-H]- 268.92805 129.9
[M+NH4]+ 287.96915 151.2
[M+K]+ 308.89849 141.3
[M+H-H2O]+ 252.93259 124.8
[M+HCOO]- 314.93353 152.5
[M+CH3COO]- 328.94918 186.4
[M+Na-2H]- 290.91000 129.2
[M]+ 269.93478 131.2
[M]- 269.93588 131.2
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

patents stripe