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
2
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]+ 873.256906 242.0
[M+Na]+ 895.238848 243.6
[M-H]- 871.242354 247.6
[M+NH4]+ 890.283453 252.7
[M+K]+ 911.212788 261.7
[M+H-H2O]+ 855.246890 227.2
[M+HCOO]- 917.247831 255.8
[M+CH3COO]- 931.263481 288.2
[M+Na-2H]- 893.224296 237.3
[M]+ 872.24908142 240.0
[M]- 872.25017858 240.0
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.