CID 9636

Pentafluoroiodoethane

Structural Information

Molecular Formula
C2F5I
SMILES
C(C(F)(F)I)(F)(F)F
InChI
InChI=1S/C2F5I/c3-1(4,5)2(6,7)8
InChIKey
UXPOJVLZTPGWFX-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoro-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

3108
Patents

245.89648 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.90376 123.6
[M+Na]+ 268.88570 126.3
[M-H]- 244.88920 112.1
[M+NH4]+ 263.93030 140.3
[M+K]+ 284.85964 131.3
[M+H-H2O]+ 228.89374 113.1
[M+HCOO]- 290.89468 135.5
[M+CH3COO]- 304.91033 181.5
[M+Na-2H]- 266.87115 118.8
[M]+ 245.89593 114.0
[M]- 245.89703 114.0
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