CID 21529365

250738-42-2

Structural Information

Molecular Formula
C15H11F21
SMILES
CCCCCC(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
InChI
InChI=1S/C15H11F21/c1-2-3-4-5-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2-5H2,1H3
InChIKey
XOFRRGPGZOTKDI-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-henicosafluoropentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

590.05255 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.05983 186.2
[M+Na]+ 613.04177 190.7
[M-H]- 589.04527 192.8
[M+NH4]+ 608.08637 195.9
[M+K]+ 629.01571 202.7
[M+H-H2O]+ 573.04981 173.7
[M+HCOO]- 635.05075 205.0
[M+CH3COO]- 649.06640 253.0
[M+Na-2H]- 611.02722 185.5
[M]+ 590.05200 184.8
[M]- 590.05310 184.8
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