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

39
Patents

695.86774 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 696.875016 210.2
[M+Na]+ 718.856958 214.7
[M-H]- 694.860464 218.5
[M+NH4]+ 713.901563 220.4
[M+K]+ 734.830898 226.2
[M+H-H2O]+ 678.865000 198.0
[M+HCOO]- 740.865941 228.1
[M+CH3COO]- 754.881591 253.2
[M+Na-2H]- 716.842406 209.6
[M]+ 695.86719142 207.2
[M]- 695.86828858 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