CID 78993

1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane

Structural Information

Molecular Formula
C4F8I2
SMILES
C(C(C(F)(F)I)(F)F)(C(F)(F)I)(F)F
InChI
InChI=1S/C4F8I2/c5-1(6,3(9,10)13)2(7,8)4(11,12)14
InChIKey
JILAKKYYZPDQBE-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3420
Patents

453.79617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.803446 141.3
[M+Na]+ 476.785388 136.8
[M-H]- 452.788894 124.1
[M+NH4]+ 471.829993 148.5
[M+K]+ 492.759328 146.2
[M+H-H2O]+ 436.793430 127.5
[M+HCOO]- 498.794371 142.5
[M+CH3COO]- 512.810021 212.5
[M+Na-2H]- 474.770836 130.5
[M]+ 453.79562142 127.7
[M]- 453.79671858 127.7
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