CID 71421090

1-(perfluorobutyl)icosane

Structural Information

Molecular Formula
C24H41F9
SMILES
CCCCCCCCCCCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H41F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(25,26)22(27,28)23(29,30)24(31,32)33/h2-20H2,1H3
InChIKey
URQWBWDZOCEUFQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorotetracosane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

500.30646 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.31374 205.3
[M+Na]+ 523.29568 211.0
[M-H]- 499.29918 196.5
[M+NH4]+ 518.34028 207.3
[M+K]+ 539.26962 216.4
[M+H-H2O]+ 483.30372 211.4
[M+HCOO]- 545.30466 220.5
[M+CH3COO]- 559.32031 246.2
[M+Na-2H]- 521.28113 195.9
[M]+ 500.30591 204.0
[M]- 500.30701 204.0
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