CID 15108923

Dtxsid70896679

Structural Information

Molecular Formula
C10H10F9IO
SMILES
C(CCO)C/C(=C\C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/I
InChI
InChI=1S/C10H10F9IO/c11-7(12,5-6(20)3-1-2-4-21)8(13,14)9(15,16)10(17,18)19/h5,21H,1-4H2/b6-5+
InChIKey
GPTNHZCPZCSMSK-AATRIKPKSA-N
Compound name
(E)-7,7,8,8,9,9,10,10,10-nonafluoro-5-iododec-5-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

443.96326 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.97054 174.0
[M+Na]+ 466.95248 174.6
[M-H]- 442.95598 156.2
[M+NH4]+ 461.99708 182.2
[M+K]+ 482.92642 176.2
[M+H-H2O]+ 426.96052 159.9
[M+HCOO]- 488.96146 174.6
[M+CH3COO]- 502.97711 214.3
[M+Na-2H]- 464.93793 163.6
[M]+ 443.96271 158.9
[M]- 443.96381 158.9
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.