CID 54776273

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluorotriacontane

Structural Information

Molecular Formula
C30H33F29
SMILES
CCCCCCCCCCCCCCCCC(C(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)(F)F
InChI
InChI=1S/C30H33F29/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)23(43,44)24(45,46)25(47,48)26(49,50)27(51,52)28(53,54)29(55,56)30(57,58)59/h2-16H2,1H3
InChIKey
RMPCIELYPPBFNC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluorotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

944.2119 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 945.21918 247.5
[M+Na]+ 967.20112 248.5
[M-H]- 943.20462 255.4
[M+NH4]+ 962.24572 258.8
[M+K]+ 983.17506 267.1
[M+H-H2O]+ 927.20916 232.7
[M+HCOO]- 989.21010 260.6
[M+CH3COO]- 1003.2258 289.2
[M+Na-2H]- 965.18657 244.8
[M]+ 944.21135 245.0
[M]- 944.21245 245.0
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.