CID 612419

Heptafluorobenzyl iodide

Structural Information

Molecular Formula
C7F7I
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)I
InChI
InChI=1S/C7F7I/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKey
KBTGPFZDZIZYLB-UHFFFAOYSA-N
Compound name
1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

343.89328 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.90056 138.4
[M+Na]+ 366.88250 144.5
[M-H]- 342.88600 128.3
[M+NH4]+ 361.92710 152.2
[M+K]+ 382.85644 146.2
[M+H-H2O]+ 326.89054 125.0
[M+HCOO]- 388.89148 149.6
[M+CH3COO]- 402.90713 202.1
[M+Na-2H]- 364.86795 129.3
[M]+ 343.89273 128.4
[M]- 343.89383 128.4
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