CID 99647755

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorodocosane

Structural Information

Molecular Formula
C22H21F25
SMILES
CCCCCCCCCCC(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)(F)F
InChI
InChI=1S/C22H21F25/c1-2-3-4-5-6-7-8-9-10-11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(39,40)20(41,42)21(43,44)22(45,46)47/h2-10H2,1H3
InChIKey
YRBYBKZFEDWCDZ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorodocosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

760.1244 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.13168 216.8
[M+Na]+ 783.11362 219.4
[M-H]- 759.11712 224.3
[M+NH4]+ 778.15822 227.6
[M+K]+ 799.08756 235.3
[M+H-H2O]+ 743.12166 202.7
[M+HCOO]- 805.12260 232.8
[M+CH3COO]- 819.13825 273.5
[M+Na-2H]- 781.09907 215.0
[M]+ 760.12385 214.8
[M]- 760.12495 214.8
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.