CID 129409171

Dtxsid20895314

Structural Information

Molecular Formula
C10H10F9I
SMILES
CCCC/C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/I
InChI
InChI=1S/C10H10F9I/c1-2-3-4-6(20)5-7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,2-4H2,1H3/b6-5-
InChIKey
FOSSNNCPAUONPQ-WAYWQWQTSA-N
Compound name
(Z)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iododec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

427.96835 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.97563 168.6
[M+Na]+ 450.95757 169.7
[M-H]- 426.96107 152.2
[M+NH4]+ 446.00217 178.1
[M+K]+ 466.93151 171.7
[M+H-H2O]+ 410.96561 154.5
[M+HCOO]- 472.96655 170.5
[M+CH3COO]- 486.98220 215.0
[M+Na-2H]- 448.94302 158.7
[M]+ 427.96780 154.0
[M]- 427.96890 154.0
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.