CID 22630505

9,9,10,10,11,11,12,12,12-nonafluoro-7-iodododecan-1-ol

Structural Information

Molecular Formula
C12H16F9IO
SMILES
C(CCCO)CCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C12H16F9IO/c13-9(14,7-8(22)5-3-1-2-4-6-23)10(15,16)11(17,18)12(19,20)21/h8,23H,1-7H2
InChIKey
QRCWNXLGRHSPPF-UHFFFAOYSA-N
Compound name
9,9,10,10,11,11,12,12,12-nonafluoro-7-iodododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

474.01022 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.01750 185.7
[M+Na]+ 496.99944 185.2
[M-H]- 473.00294 167.4
[M+NH4]+ 492.04404 192.7
[M+K]+ 512.97338 186.9
[M+H-H2O]+ 457.00748 171.1
[M+HCOO]- 519.00842 185.4
[M+CH3COO]- 533.02407 221.2
[M+Na-2H]- 494.98489 174.1
[M]+ 474.00967 171.9
[M]- 474.01077 171.9
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

patents stripe