CID 138396300

Dtxsid70895405

Structural Information

Molecular Formula
C19H18F21I
SMILES
CCCCCCCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C19H18F21I/c1-2-3-4-5-6-7-9(41)8-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h9H,2-8H2,1H3
InChIKey
QDCHVWHUMIKQMU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodononadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

772.0118 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.01908 235.5
[M+Na]+ 795.00102 239.7
[M-H]- 771.00452 241.7
[M+NH4]+ 790.04562 246.0
[M+K]+ 810.97496 252.8
[M+H-H2O]+ 755.00906 223.3
[M+HCOO]- 817.01000 249.6
[M+CH3COO]- 831.02565 266.5
[M+Na-2H]- 792.98647 231.2
[M]+ 772.01125 231.9
[M]- 772.01235 231.9
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.