CID 2776188

125112-67-6

Structural Information

Molecular Formula
C6F11I
SMILES
C1(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)I
InChI
InChI=1S/C6F11I/c7-2(8)1(18,6(15,16)17)3(9,10)5(13,14)4(2,11)12
InChIKey
WKHPXJGCMGZHKR-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-5-iodo-5-(trifluoromethyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.8869 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.89418 181.7
[M+Na]+ 430.87612 181.1
[M+NH4]+ 425.92072 182.0
[M+K]+ 446.85006 177.7
[M-H]- 406.87962 175.4
[M+Na-2H]- 428.86157 178.5
[M]+ 407.88635 179.5
[M]- 407.88745 179.5
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

No patent data available for this compound.