CID 2759377

14115-45-8

Structural Information

Molecular Formula
C6H4F9I
SMILES
C(CI)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H4F9I/c7-4(8,9)3(1-2-16,5(10,11)12)6(13,14)15/h1-2H2
InChIKey
GKBGDCARGTVCJU-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.9214 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.92868 152.7
[M+Na]+ 396.91062 155.2
[M-H]- 372.91412 136.8
[M+NH4]+ 391.95522 164.4
[M+K]+ 412.88456 158.3
[M+H-H2O]+ 356.91866 139.1
[M+HCOO]- 418.91960 156.5
[M+CH3COO]- 432.93525 203.9
[M+Na-2H]- 394.89607 145.6
[M]+ 373.92085 137.9
[M]- 373.92195 137.9
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

No patent data available for this compound.