CID 85799506

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

Structural Information

Molecular Formula
C11H13F9
SMILES
CCCCCC=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H13F9/c1-2-3-4-5-6-7-8(12,13)9(14,15)10(16,17)11(18,19)20/h6-7H,2-5H2,1H3
InChIKey
BPLNYTMJXSFCTM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoroundec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.08734 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09462 164.5
[M+Na]+ 339.07656 172.2
[M-H]- 315.08006 153.4
[M+NH4]+ 334.12116 178.6
[M+K]+ 355.05050 168.1
[M+H-H2O]+ 299.08460 153.1
[M+HCOO]- 361.08554 170.9
[M+CH3COO]- 375.10119 207.8
[M+Na-2H]- 337.06201 166.6
[M]+ 316.08679 152.2
[M]- 316.08789 152.2
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

No patent data available for this compound.