CID 2776188

1-iodoperfluoro(1-methylcyclopentane)

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]+ 408.894176 130.5
[M+Na]+ 430.876118 139.4
[M-H]- 406.879624 118.1
[M+NH4]+ 425.920723 151.8
[M+K]+ 446.850058 141.3
[M+H-H2O]+ 390.884160 120.4
[M+HCOO]- 452.885101 137.1
[M+CH3COO]- 466.900751 209.0
[M+Na-2H]- 428.861566 125.4
[M]+ 407.88635142 115.7
[M]- 407.88744858 115.7
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.