CID 102842

2546-06-7

Structural Information

Molecular Formula
C22H44F2
SMILES
CC(CCCCCCCCF)CCC(C)CCCCCCCCF
InChI
InChI=1S/C22H44F2/c1-21(15-11-7-3-5-9-13-19-23)17-18-22(2)16-12-8-4-6-10-14-20-24/h21-22H,3-20H2,1-2H3
InChIKey
LUERHALLQYNOCI-UHFFFAOYSA-N
Compound name
1,20-difluoro-9,12-dimethylicosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.3411 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.34838 198.7
[M+Na]+ 369.33032 198.9
[M-H]- 345.33382 193.2
[M+NH4]+ 364.37492 212.0
[M+K]+ 385.30426 194.4
[M+H-H2O]+ 329.33836 189.4
[M+HCOO]- 391.33930 212.9
[M+CH3COO]- 405.35495 222.3
[M+Na-2H]- 367.31577 193.2
[M]+ 346.34055 202.2
[M]- 346.34165 202.2
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.