CID 33978

Heptafluoroisopropyl iodide

Structural Information

Molecular Formula
C3F7I
SMILES
C(C(F)(F)F)(C(F)(F)F)(F)I
InChI
InChI=1S/C3F7I/c4-1(11,2(5,6)7)3(8,9)10
InChIKey
BBZVTTKMXRPMHZ-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoro-2-iodopropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

2078
Patents

295.89328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.90056 133.0
[M+Na]+ 318.88250 136.1
[M-H]- 294.88600 119.4
[M+NH4]+ 313.92710 147.8
[M+K]+ 334.85644 140.3
[M+H-H2O]+ 278.89054 121.1
[M+HCOO]- 340.89148 141.1
[M+CH3COO]- 354.90713 189.9
[M+Na-2H]- 316.86795 127.6
[M]+ 295.89273 120.5
[M]- 295.89383 120.5
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