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]+ 945.219176 247.5
[M+Na]+ 967.201118 248.5
[M-H]- 943.204624 255.4
[M+NH4]+ 962.245723 258.8
[M+K]+ 983.175058 267.1
[M+H-H2O]+ 927.209160 232.7
[M+HCOO]- 989.210101 260.6
[M+CH3COO]- 1003.225751 289.2
[M+Na-2H]- 965.186566 244.8
[M]+ 944.21135142 245.0
[M]- 944.21244858 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.