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
1
Annotation Hits

5
References

5666
Patents

209.91533 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.92261 119.4
[M+Na]+ 232.90455 121.6
[M-H]- 208.90805 110.0
[M+NH4]+ 227.94915 137.6
[M+K]+ 248.87849 127.1
[M+H-H2O]+ 192.91259 110.1
[M+HCOO]- 254.91353 134.7
[M+CH3COO]- 268.92918 175.6
[M+Na-2H]- 230.89000 115.0
[M]+ 209.91478 112.8
[M]- 209.91588 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