CID 2778221

1,3-difluoro-5-iodobenzene

Structural Information

Molecular Formula
C6H3F2I
SMILES
C1=C(C=C(C=C1F)I)F
InChI
InChI=1S/C6H3F2I/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey
QQCFOQNFPIAENW-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

475
Patents

239.92474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.93202 124.5
[M+Na]+ 262.91396 127.7
[M-H]- 238.91746 119.4
[M+NH4]+ 257.95856 141.8
[M+K]+ 278.88790 131.4
[M+H-H2O]+ 222.92200 114.6
[M+HCOO]- 284.92294 142.7
[M+CH3COO]- 298.93859 182.0
[M+Na-2H]- 260.89941 119.6
[M]+ 239.92419 119.5
[M]- 239.92529 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe