CID 165362592

7:3 ftual

Structural Information

Molecular Formula
C10H3F15O
SMILES
C(=C/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\C=O
InChI
InChI=1S/C10H3F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-3H/b2-1+
InChIKey
KMPQUCAHSGTSIB-OWOJBTEDSA-N
Compound name
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.99445 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.001726 180.8
[M+Na]+ 446.983668 161.9
[M-H]- 422.987174 159.3
[M+NH4]+ 442.028273 162.6
[M+K]+ 462.957608 186.1
[M+H-H2O]+ 406.991710 166.4
[M+HCOO]- 468.992651 177.0
[M+CH3COO]- 483.008301 224.6
[M+Na-2H]- 444.969116 183.4
[M]+ 423.99390142 153.8
[M]- 423.99499858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.