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]+ 761.131676 216.8
[M+Na]+ 783.113618 219.4
[M-H]- 759.117124 224.3
[M+NH4]+ 778.158223 227.6
[M+K]+ 799.087558 235.3
[M+H-H2O]+ 743.121660 202.7
[M+HCOO]- 805.122601 232.8
[M+CH3COO]- 819.138251 273.5
[M+Na-2H]- 781.099066 215.0
[M]+ 760.12385142 214.8
[M]- 760.12494858 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.