CID 99647744

Dtxsid30895406

Structural Information

Molecular Formula
C22H19F27
SMILES
CCCCCCCCCC(C(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)(F)F
InChI
InChI=1S/C22H19F27/c1-2-3-4-5-6-7-8-9-10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)21(45,46)22(47,48)49/h2-9H2,1H3
InChIKey
FPQVMLAHTLHXTN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-heptacosafluorodocosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

796.1056 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 797.11288 220.2
[M+Na]+ 819.09482 222.5
[M-H]- 795.09832 228.8
[M+NH4]+ 814.13942 231.4
[M+K]+ 835.06876 238.9
[M+H-H2O]+ 779.10286 206.0
[M+HCOO]- 841.10380 235.8
[M+CH3COO]- 855.11945 275.4
[M+Na-2H]- 817.08027 219.4
[M]+ 796.10505 218.0
[M]- 796.10615 218.0
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

No patent data available for this compound.