CID 99647790

Dtxsid60895439

Structural Information

Molecular Formula
C27H31F25
SMILES
CCCCCCCCCCCCCCCC(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/C27H31F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)24(44,45)25(46,47)26(48,49)27(50,51)52/h2-15H2,1H3
InChIKey
COFYVQNPCJQXFJ-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-pentacosafluoroheptacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

830.20264 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 831.20992 232.7
[M+Na]+ 853.19186 234.6
[M-H]- 829.19536 239.0
[M+NH4]+ 848.23646 243.4
[M+K]+ 869.16580 251.9
[M+H-H2O]+ 813.19990 218.1
[M+HCOO]- 875.20084 247.3
[M+CH3COO]- 889.21649 282.7
[M+Na-2H]- 851.17731 229.0
[M]+ 830.20209 230.6
[M]- 830.20319 230.6
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.