CID 2783151

1,3-difluoro-5-iodo-2-methoxybenzene

Structural Information

Molecular Formula
C7H5F2IO
SMILES
COC1=C(C=C(C=C1F)I)F
InChI
InChI=1S/C7H5F2IO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3
InChIKey
VPBVKAYYQNPEGB-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-iodo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

269.93533 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.94261 133.0
[M+Na]+ 292.92455 136.6
[M-H]- 268.92805 128.1
[M+NH4]+ 287.96915 149.4
[M+K]+ 308.89849 140.5
[M+H-H2O]+ 252.93259 122.8
[M+HCOO]- 314.93353 151.0
[M+CH3COO]- 328.94918 187.7
[M+Na-2H]- 290.91000 126.8
[M]+ 269.93478 130.1
[M]- 269.93588 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