CID 69618

677-93-0

Structural Information

Molecular Formula
C11F23I
SMILES
C(C(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C11F23I/c12-1(9(27,28)29,10(30,31)32)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)11(33,34)35
InChIKey
ZBAGFGHCDOIBDJ-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-iodo-2-(trifluoromethyl)decane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

45
Patents

695.86774 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 696.87502 210.2
[M+Na]+ 718.85696 214.7
[M-H]- 694.86046 218.5
[M+NH4]+ 713.90156 220.4
[M+K]+ 734.83090 226.2
[M+H-H2O]+ 678.86500 198.0
[M+HCOO]- 740.86594 228.1
[M+CH3COO]- 754.88159 253.2
[M+Na-2H]- 716.84241 209.6
[M]+ 695.86719 207.2
[M]- 695.86829 207.2
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