CID 13794503

Perfluoro(10,10-dimethyl-1-iodo-9-oxadecane)

Structural Information

Molecular Formula
C11F23IO
SMILES
C(C(F)(F)F)(C(F)(F)F)(OC(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C11F23IO/c12-1(13,3(16,17)5(20,21)10(31,32)35)2(14,15)4(18,19)6(22,23)11(33,34)36-7(24,8(25,26)27)9(28,29)30
InChIKey
DQVDKUNLKZLJJV-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-8-iodooctane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26
Patents

711.8627 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.86998 210.0
[M+Na]+ 734.85192 214.2
[M-H]- 710.85542 218.8
[M+NH4]+ 729.89652 220.7
[M+K]+ 750.82586 225.7
[M+H-H2O]+ 694.85996 197.9
[M+HCOO]- 756.86090 227.9
[M+CH3COO]- 770.87655 254.4
[M+Na-2H]- 732.83737 209.3
[M]+ 711.86215 207.1
[M]- 711.86325 207.1
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