CID 121008108

(2s)-2-(nonafluorobutyl)octan-1-ol

Structural Information

Molecular Formula
C12H17F9O
SMILES
CCCCCC[C@@H](CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H17F9O/c1-2-3-4-5-6-8(7-22)9(13,14)10(15,16)11(17,18)12(19,20)21/h8,22H,2-7H2,1H3/t8-/m0/s1
InChIKey
YZHBNWFCJSAYBH-QMMMGPOBSA-N
Compound name
(2S)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

348.11356 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12084 172.7
[M+Na]+ 371.10278 178.9
[M-H]- 347.10628 160.1
[M+NH4]+ 366.14738 184.8
[M+K]+ 387.07672 175.4
[M+H-H2O]+ 331.11082 161.3
[M+HCOO]- 393.11176 176.5
[M+CH3COO]- 407.12741 212.2
[M+Na-2H]- 369.08823 173.0
[M]+ 348.11301 160.4
[M]- 348.11411 160.4
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.