CID 138394911

1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-iodopentane

Structural Information

Molecular Formula
C5F11I
SMILES
C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)I)(F)F
InChI
InChI=1S/C5F11I/c6-1(7,2(8,9)4(11,12)13)3(10,17)5(14,15)16
InChIKey
AQTLYQKIOQKBFB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-iodopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

395.8869 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.89418 152.9
[M+Na]+ 418.87612 156.3
[M-H]- 394.87962 135.7
[M+NH4]+ 413.92072 163.4
[M+K]+ 434.85006 159.2
[M+H-H2O]+ 378.88416 138.4
[M+HCOO]- 440.88510 153.7
[M+CH3COO]- 454.90075 208.0
[M+Na-2H]- 416.86157 146.5
[M]+ 395.88635 134.4
[M]- 395.88745 134.4
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