CID 2782186

1h,1h-perfluoro-1-hexadecanol

Structural Information

Molecular Formula
C16H3F31O
SMILES
C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C16H3F31O/c17-2(18,1-48)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h48H,1H2
InChIKey
KOOXQXFAIXTUHZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

799.9689 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 800.97618 152.5
[M+Na]+ 822.95812 152.5
[M+NH4]+ 818.00272 152.5
[M+K]+ 838.93206 152.5
[M-H]- 798.96162 152.5
[M+Na-2H]- 820.94357 152.5
[M]+ 799.96835 152.5
[M]- 799.96945 152.5
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