CID 2760714

2,4,6-trifluoroiodobenzene

Structural Information

Molecular Formula
C6H2F3I
SMILES
C1=C(C=C(C(=C1F)I)F)F
InChI
InChI=1S/C6H2F3I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
CTUZRFPGJAMCBX-UHFFFAOYSA-N
Compound name
1,3,5-trifluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

257.91534 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92262 125.4
[M+Na]+ 280.90456 129.6
[M-H]- 256.90806 119.4
[M+NH4]+ 275.94916 142.3
[M+K]+ 296.87850 132.9
[M+H-H2O]+ 240.91260 114.8
[M+HCOO]- 302.91354 142.6
[M+CH3COO]- 316.92919 185.7
[M+Na-2H]- 278.89001 119.5
[M]+ 257.91479 119.7
[M]- 257.91589 119.7
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