CID 550612

261761-01-7

Structural Information

Molecular Formula
C9H4F13IO
SMILES
C(C(=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)O
InChI
InChI=1S/C9H4F13IO/c10-4(11,1-3(23)2-24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1,24H,2H2
InChIKey
HUIAECWNXSPFSH-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

501.90994 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.91722 178.2
[M+Na]+ 524.89916 180.3
[M-H]- 500.90266 158.0
[M+NH4]+ 519.94376 195.1
[M+K]+ 540.87310 181.8
[M+H-H2O]+ 484.90720 162.5
[M+HCOO]- 546.90814 205.8
[M+CH3COO]- 560.92379 223.4
[M+Na-2H]- 522.88461 169.2
[M]+ 501.90939 156.1
[M]- 501.91049 156.1
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.