CID 138396282

1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexadecane

Structural Information

Molecular Formula
C16H24F9I
SMILES
CCCCCCCCCCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C16H24F9I/c1-2-3-4-5-6-7-8-9-10-12(26)11-13(17,18)14(19,20)15(21,22)16(23,24)25/h12H,2-11H2,1H3
InChIKey
ZANMBCLWKBTGQM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

514.0779 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.08518 199.9
[M+Na]+ 537.06712 198.4
[M-H]- 513.07062 182.3
[M+NH4]+ 532.11172 218.3
[M+K]+ 553.04106 199.4
[M+H-H2O]+ 497.07516 184.5
[M+HCOO]- 559.07610 228.5
[M+CH3COO]- 573.09175 232.6
[M+Na-2H]- 535.05257 186.7
[M]+ 514.07735 188.0
[M]- 514.07845 188.0
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