CID 13299952

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodopentadecane

Structural Information

Molecular Formula
C15H16F15I
SMILES
CCCCCCC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C15H16F15I/c1-2-3-4-5-6-8(31)7-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h8H,2-7H2,1H3
InChIKey
DUVMOWIYGIOIKQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodopentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

608.00574 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.01302 215.0
[M+Na]+ 630.99496 221.2
[M-H]- 606.99846 217.3
[M+NH4]+ 626.03956 222.9
[M+K]+ 646.96890 229.2
[M+H-H2O]+ 591.00300 205.7
[M+HCOO]- 653.00394 230.4
[M+CH3COO]- 667.01959 245.7
[M+Na-2H]- 628.98041 209.9
[M]+ 608.00519 211.6
[M]- 608.00629 211.6
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