CID 12539903

1-iodo-4h-tetrafluorobenzene

Structural Information

Molecular Formula
C6HF4I
SMILES
C1=C(C(=C(C(=C1F)F)I)F)F
InChI
InChI=1S/C6HF4I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
WCDGZBXJPUDDGP-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

275.9059 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.91318 126.4
[M+Na]+ 298.89512 131.5
[M-H]- 274.89862 119.5
[M+NH4]+ 293.93972 142.8
[M+K]+ 314.86906 134.4
[M+H-H2O]+ 258.90316 115.2
[M+HCOO]- 320.90410 142.6
[M+CH3COO]- 334.91975 189.5
[M+Na-2H]- 296.88057 119.4
[M]+ 275.90535 120.0
[M]- 275.90645 120.0
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