CID 101226803

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-13-iodotridecane

Structural Information

Molecular Formula
C13H6F21I
SMILES
C(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)CI
InChI
InChI=1S/C13H6F21I/c14-4(15,2-1-3-35)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-3H2
InChIKey
JYADHEPYZFNKON-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-13-iodotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

687.9179 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.92518 213.4
[M+Na]+ 710.90712 218.1
[M-H]- 686.91062 220.0
[M+NH4]+ 705.95172 223.0
[M+K]+ 726.88106 229.2
[M+H-H2O]+ 670.91516 201.5
[M+HCOO]- 732.91610 231.1
[M+CH3COO]- 746.93175 253.9
[M+Na-2H]- 708.89257 211.2
[M]+ 687.91735 210.3
[M]- 687.91845 210.3
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.