CID 103406

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-iodoundecane

Structural Information

Molecular Formula
C11H4F19I
SMILES
C(CI)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
InChI
InChI=1S/C11H4F19I/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1-2H2
InChIKey
UXFIGGWFHDAMOO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-iodoundecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

623.90546 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.91274 204.1
[M+Na]+ 646.89468 209.5
[M-H]- 622.89818 209.7
[M+NH4]+ 641.93928 212.9
[M+K]+ 662.86862 218.8
[M+H-H2O]+ 606.90272 193.0
[M+HCOO]- 668.90366 222.6
[M+CH3COO]- 682.91931 245.4
[M+Na-2H]- 644.88013 201.9
[M]+ 623.90491 201.1
[M]- 623.90601 201.1
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

No patent data available for this compound.