CID 98452410

1,1,1,2,2,3,3,4,4-nonafluorodocosane

Structural Information

Molecular Formula
C22H37F9
SMILES
CCCCCCCCCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C22H37F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(23,24)20(25,26)21(27,28)22(29,30)31/h2-18H2,1H3
InChIKey
OJIAEXACITVMDV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorodocosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

472.27515 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.28243 216.4
[M+Na]+ 495.26437 203.8
[M-H]- 471.26787 189.7
[M+NH4]+ 490.30897 199.8
[M+K]+ 511.23831 213.2
[M+H-H2O]+ 455.27241 202.8
[M+HCOO]- 517.27335 213.7
[M+CH3COO]- 531.28900 240.7
[M+Na-2H]- 493.24982 212.9
[M]+ 472.27460 196.7
[M]- 472.27570 196.7
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

No patent data available for this compound.