CID 2776659

3831-49-0

Structural Information

Molecular Formula
C2HF4I
SMILES
C(C(F)(F)F)(F)I
InChI
InChI=1S/C2HF4I/c3-1(7)2(4,5)6/h1H
InChIKey
JDAWHMRSFSKYTB-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrafluoro-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

227.90591 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.91319 120.9
[M+Na]+ 250.89513 122.9
[M-H]- 226.89863 110.3
[M+NH4]+ 245.93973 138.2
[M+K]+ 266.86907 128.4
[M+H-H2O]+ 210.90317 110.7
[M+HCOO]- 272.90411 134.3
[M+CH3COO]- 286.91976 179.1
[M+Na-2H]- 248.88058 114.8
[M]+ 227.90536 112.5
[M]- 227.90646 112.5
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