CID 13722135

Dtxsid30895461

Structural Information

Molecular Formula
C14H11F17
SMILES
CCCC/C=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
InChI
InChI=1S/C14H11F17/c1-2-3-4-5-6-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,2-4H2,1H3/b6-5+
InChIKey
NOHLLTHGANBXNS-AATRIKPKSA-N
Compound name
(E)-7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

502.05893 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.06621 174.3
[M+Na]+ 525.04815 180.5
[M-H]- 501.05165 178.6
[M+NH4]+ 520.09275 182.5
[M+K]+ 541.02209 189.1
[M+H-H2O]+ 485.05619 163.7
[M+HCOO]- 547.05713 194.6
[M+CH3COO]- 561.07278 239.8
[M+Na-2H]- 523.03360 172.9
[M]+ 502.05838 173.1
[M]- 502.05948 173.1
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.