CID 10916462

1,1,2,2,3,3-hexafluoro-1,3-diiodopropane

Structural Information

Molecular Formula
C3F6I2
SMILES
C(C(F)(F)I)(C(F)(F)I)(F)F
InChI
InChI=1S/C3F6I2/c4-1(5,2(6,7)10)3(8,9)11
InChIKey
WIEYKFZUVTYEIY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-1,3-diiodopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1957
Patents

403.79935 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.80663 133.7
[M+Na]+ 426.78857 128.8
[M-H]- 402.79207 118.0
[M+NH4]+ 421.83317 142.5
[M+K]+ 442.76251 138.9
[M+H-H2O]+ 386.79661 120.9
[M+HCOO]- 448.79755 137.9
[M+CH3COO]- 462.81320 205.0
[M+Na-2H]- 424.77402 123.1
[M]+ 403.79880 122.4
[M]- 403.79990 122.4
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