CID 54522567

Perfluorodecanal

Structural Information

Molecular Formula
C10HF19O
SMILES
C(=O)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
InChI
InChI=1S/C10HF19O/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/h1H
InChIKey
FKFXPJZGLIFLGJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

497.9724 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.97968 163.1
[M+Na]+ 520.96162 168.9
[M-H]- 496.96512 170.7
[M+NH4]+ 516.00622 173.0
[M+K]+ 536.93556 177.8
[M+H-H2O]+ 480.96966 152.2
[M+HCOO]- 542.97060 184.5
[M+CH3COO]- 556.98625 237.4
[M+Na-2H]- 518.94707 164.0
[M]+ 497.97185 162.3
[M]- 497.97295 162.3
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