CID 99647812

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-pentacosafluorotriacontane

Structural Information

Molecular Formula
C30H37F25
SMILES
CCCCCCCCCCCCCCCCCCC(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/C30H37F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(31,32)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)27(47,48)28(49,50)29(51,52)30(53,54)55/h2-18H2,1H3
InChIKey
ZQTOGMUPCQLFRE-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-pentacosafluorotriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

872.24963 Da
Monoisotopic Mass

18.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.25691 152.6
[M+Na]+ 895.23885 152.6
[M+NH4]+ 890.28345 152.6
[M+K]+ 911.21279 152.6
[M-H]- 871.24235 152.6
[M+Na-2H]- 893.22430 152.6
[M]+ 872.24908 152.6
[M]- 872.25018 152.6
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.