CID 15945938

1-(difluoromethoxy)-2-iodobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

269.93533 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.942606 135.5
[M+Na]+ 292.924548 137.1
[M-H]- 268.928054 129.9
[M+NH4]+ 287.969153 151.2
[M+K]+ 308.898488 141.3
[M+H-H2O]+ 252.932590 124.8
[M+HCOO]- 314.933531 152.5
[M+CH3COO]- 328.949181 186.4
[M+Na-2H]- 290.909996 129.2
[M]+ 269.93478142 131.2
[M]- 269.93587858 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