CID 53974445

Perfluorododecanal

Structural Information

Molecular Formula
C12HF23O
SMILES
C(=O)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
InChI
InChI=1S/C12HF23O/c13-2(14,1-36)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h1H
InChIKey
TVTFWTYOCUDNRL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

597.966 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.97328 178.7
[M+Na]+ 620.95522 183.2
[M-H]- 596.95872 188.5
[M+NH4]+ 615.99982 190.0
[M+K]+ 636.92916 195.3
[M+H-H2O]+ 580.96326 166.3
[M+HCOO]- 642.96420 198.6
[M+CH3COO]- 656.97985 251.1
[M+Na-2H]- 618.94067 180.2
[M]+ 597.96545 177.5
[M]- 597.96655 177.5
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