CID 2776165

6-(perfluorohexyl)hexanol

Structural Information

Molecular Formula
C12H13F13O
SMILES
C(CCCO)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H13F13O/c13-7(14,5-3-1-2-4-6-26)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h26H,1-6H2
InChIKey
PYOIUKBYPXQLLT-UHFFFAOYSA-N
Compound name
7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

193
Patents

420.07587 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.08315 185.6
[M+Na]+ 443.06509 192.9
[M-H]- 419.06859 169.6
[M+NH4]+ 438.10969 165.6
[M+K]+ 459.03903 188.6
[M+H-H2O]+ 403.07313 171.8
[M+HCOO]- 465.07407 180.4
[M+CH3COO]- 479.08972 224.0
[M+Na-2H]- 441.05054 186.8
[M]+ 420.07532 166.5
[M]- 420.07642 166.5
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