CID 629495

3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene

Structural Information

Molecular Formula
C5H2F7I
SMILES
C(=CI)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5H2F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H
InChIKey
YSIHFHRTEHLZRU-UHFFFAOYSA-N
Compound name
3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

321.90894 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.91622 141.0
[M+Na]+ 344.89816 143.6
[M-H]- 320.90166 127.1
[M+NH4]+ 339.94276 154.8
[M+K]+ 360.87210 146.8
[M+H-H2O]+ 304.90620 128.8
[M+HCOO]- 366.90714 148.7
[M+CH3COO]- 380.92279 193.9
[M+Na-2H]- 342.88361 134.6
[M]+ 321.90839 128.5
[M]- 321.90949 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe