CID 27282292

2-iodo-3,4-difluoroanisole

Structural Information

Molecular Formula
C7H5F2IO
SMILES
COC1=C(C(=C(C=C1)F)F)I
InChI
InChI=1S/C7H5F2IO/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3
InChIKey
DEJBZAWEAMZDTM-UHFFFAOYSA-N
Compound name
1,2-difluoro-3-iodo-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

269.93533 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.942606 133.0
[M+Na]+ 292.924548 136.6
[M-H]- 268.928054 128.1
[M+NH4]+ 287.969153 149.4
[M+K]+ 308.898488 140.5
[M+H-H2O]+ 252.932590 122.8
[M+HCOO]- 314.933531 151.0
[M+CH3COO]- 328.949181 187.7
[M+Na-2H]- 290.909996 126.8
[M]+ 269.93478142 130.1
[M]- 269.93587858 130.1
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