CID 54256796

1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene

Structural Information

Molecular Formula
C16H23F9
SMILES
CCCCCCCCCCC=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H23F9/c1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)15(21,22)16(23,24)25/h11-12H,2-10H2,1H3
InChIKey
RAQFLOSJQUOABH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

386.16562 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17290 187.7
[M+Na]+ 409.15484 193.4
[M-H]- 385.15834 175.7
[M+NH4]+ 404.19944 199.1
[M+K]+ 425.12878 188.1
[M+H-H2O]+ 369.16288 175.3
[M+HCOO]- 431.16382 192.5
[M+CH3COO]- 445.17947 222.2
[M+Na-2H]- 407.14029 187.2
[M]+ 386.16507 177.2
[M]- 386.16617 177.2
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