CID 69619

1h,1h,2h,2h-perfluoro-1-decanol

Structural Information

Molecular Formula
C10H5F17O
SMILES
C(CO)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
InChI
InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
InChIKey
JJUBFBTUBACDHW-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

57
References

2481
Patents

464.0069 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.01418 159.5
[M+Na]+ 486.99612 164.5
[M-H]- 462.99962 164.5
[M+NH4]+ 482.04072 166.3
[M+K]+ 502.97006 172.1
[M+H-H2O]+ 447.00416 175.7
[M+HCOO]- 509.00510 179.2
[M+CH3COO]- 523.02075 230.7
[M+Na-2H]- 484.98157 158.7
[M]+ 464.00635 157.8
[M]- 464.00745 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe