CID 23236058

1-iodo-2h-perfluoropropane

Structural Information

Molecular Formula
C3HF6I
SMILES
C(C(F)(F)F)(C(F)(F)I)F
InChI
InChI=1S/C3HF6I/c4-1(2(5,6)7)3(8,9)10/h1H
InChIKey
XAEBOKNDLJGKJA-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

277.9027 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.90998 129.9
[M+Na]+ 300.89192 132.1
[M-H]- 276.89542 117.1
[M+NH4]+ 295.93652 145.2
[M+K]+ 316.86586 136.8
[M+H-H2O]+ 260.89996 118.3
[M+HCOO]- 322.90090 139.5
[M+CH3COO]- 336.91655 187.9
[M+Na-2H]- 298.87737 123.0
[M]+ 277.90215 118.8
[M]- 277.90325 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe