CID 67709

1,1,1-trifluoro-2-iodoethane

Structural Information

Molecular Formula
C2H2F3I
SMILES
C(C(F)(F)F)I
InChI
InChI=1S/C2H2F3I/c3-2(4,5)1-6/h1H2
InChIKey
RKOUFQLNMRAACI-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

5451
Patents

209.91533 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.922606 119.4
[M+Na]+ 232.904548 121.6
[M-H]- 208.908054 110.0
[M+NH4]+ 227.949153 137.6
[M+K]+ 248.878488 127.1
[M+H-H2O]+ 192.912590 110.1
[M+HCOO]- 254.913531 134.7
[M+CH3COO]- 268.929181 175.6
[M+Na-2H]- 230.889996 115.0
[M]+ 209.91478142 112.8
[M]- 209.91587858 112.8
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