CID 86154938

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorononadecane

Structural Information

Molecular Formula
C19H25F15
SMILES
CCCCCCCCCCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H25F15/c1-2-3-4-5-6-7-8-9-10-11-12-13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h2-12H2,1H3
InChIKey
VBBUVVVBWWTFOL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorononadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

538.1717 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.17898 191.2
[M+Na]+ 561.16092 196.4
[M-H]- 537.16442 191.2
[M+NH4]+ 556.20552 197.7
[M+K]+ 577.13486 205.5
[M+H-H2O]+ 521.16896 180.9
[M+HCOO]- 583.16990 209.0
[M+CH3COO]- 597.18555 248.7
[M+Na-2H]- 559.14637 186.3
[M]+ 538.17115 189.7
[M]- 538.17225 189.7
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