CID 22630502

133001-14-6

Structural Information

Molecular Formula
C12H17F9O
SMILES
C(CCCCO)CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H17F9O/c13-9(14,7-5-3-1-2-4-6-8-22)10(15,16)11(17,18)12(19,20)21/h22H,1-8H2
InChIKey
DGNNLLZHFZKHFJ-UHFFFAOYSA-N
Compound name
9,9,10,10,11,11,12,12,12-nonafluorododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

348.11356 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12084 173.8
[M+Na]+ 371.10278 180.3
[M-H]- 347.10628 161.1
[M+NH4]+ 366.14738 185.9
[M+K]+ 387.07672 176.2
[M+H-H2O]+ 331.11082 162.2
[M+HCOO]- 393.11176 178.5
[M+CH3COO]- 407.12741 211.5
[M+Na-2H]- 369.08823 175.1
[M]+ 348.11301 162.2
[M]- 348.11411 162.2
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