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

38
Patents

597.966 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.973276 178.7
[M+Na]+ 620.955218 183.2
[M-H]- 596.958724 188.5
[M+NH4]+ 615.999823 190.0
[M+K]+ 636.929158 195.3
[M+H-H2O]+ 580.963260 166.3
[M+HCOO]- 642.964201 198.6
[M+CH3COO]- 656.979851 251.1
[M+Na-2H]- 618.940666 180.2
[M]+ 597.96545142 177.5
[M]- 597.96654858 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