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]+ 408.89418 130.5
[M+Na]+ 430.87612 139.4
[M-H]- 406.87962 118.1
[M+NH4]+ 425.92072 151.8
[M+K]+ 446.85006 141.3
[M+H-H2O]+ 390.88416 120.4
[M+HCOO]- 452.88510 137.1
[M+CH3COO]- 466.90075 209.0
[M+Na-2H]- 428.86157 125.4
[M]+ 407.88635 115.7
[M]- 407.88745 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.