CID 67721

354-69-8

Structural Information

Molecular Formula
C3H2F5I
SMILES
C(C(C(F)(F)F)(F)F)I
InChI
InChI=1S/C3H2F5I/c4-2(5,1-9)3(6,7)8/h1H2
InChIKey
HENALDZJQYAUBN-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoro-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

92
Patents

259.91214 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.91942 128.6
[M+Na]+ 282.90136 131.0
[M-H]- 258.90486 116.9
[M+NH4]+ 277.94596 144.8
[M+K]+ 298.87530 135.7
[M+H-H2O]+ 242.90940 117.9
[M+HCOO]- 304.91034 140.2
[M+CH3COO]- 318.92599 184.3
[M+Na-2H]- 280.88681 123.3
[M]+ 259.91159 119.4
[M]- 259.91269 119.4
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