CID 156165

1,1,1-trifluoro-3-iodopropane

Structural Information

Molecular Formula
C3H4F3I
SMILES
C(CI)C(F)(F)F
InChI
InChI=1S/C3H4F3I/c4-3(5,6)1-2-7/h1-2H2
InChIKey
ULIYQAUQKZDZOX-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1776
Patents

223.93098 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.938256 124.4
[M+Na]+ 246.920198 126.2
[M-H]- 222.923704 114.8
[M+NH4]+ 241.964803 142.1
[M+K]+ 262.894138 131.4
[M+H-H2O]+ 206.928240 114.9
[M+HCOO]- 268.929181 139.4
[M+CH3COO]- 282.944831 178.4
[M+Na-2H]- 244.905646 119.4
[M]+ 223.93043142 118.2
[M]- 223.93152858 118.2
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