CID 2733275

1-decanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-

Structural Information

Molecular Formula
C10H3F19O
SMILES
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)O
InChI
InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h30H,1H2
InChIKey
NIRPXSQCRWXHNZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

48
References

278
Patents

499.98804 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.99532 163.1
[M+Na]+ 522.97726 167.7
[M-H]- 498.98076 169.8
[M+NH4]+ 518.02186 170.9
[M+K]+ 538.95120 176.9
[M+H-H2O]+ 482.98530 151.2
[M+HCOO]- 544.98624 182.6
[M+CH3COO]- 559.00189 236.2
[M+Na-2H]- 520.96271 163.1
[M]+ 499.98749 161.4
[M]- 499.98859 161.4
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