CID 13597444

25080-17-5

Structural Information

Molecular Formula
C7F15IO
SMILES
C(C(F)(F)F)(C(F)(F)F)(OC(C(C(C(F)(F)I)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7F15IO/c8-1(9,6(19,20)23)2(10,11)7(21,22)24-3(12,4(13,14)15)5(16,17)18
InChIKey
FBDUOBZWJVSNCX-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

511.87543 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.88271 178.5
[M+Na]+ 534.86465 182.2
[M-H]- 510.86815 158.7
[M+NH4]+ 529.90925 192.9
[M+K]+ 550.83859 184.5
[M+H-H2O]+ 494.87269 161.9
[M+HCOO]- 556.87363 205.5
[M+CH3COO]- 570.88928 226.8
[M+Na-2H]- 532.85010 171.9
[M]+ 511.87488 155.3
[M]- 511.87598 155.3
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