CID 138394291

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane

Structural Information

Molecular Formula
C32H49F17
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C32H49F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49/h2-24H2,1H3
InChIKey
MPOGCORGEBKYLP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

756.35626 Da
Monoisotopic Mass

18.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.36354 239.4
[M+Na]+ 779.34548 242.0
[M-H]- 755.34898 237.3
[M+NH4]+ 774.39008 246.7
[M+K]+ 795.31942 257.2
[M+H-H2O]+ 739.35352 226.5
[M+HCOO]- 801.35446 252.7
[M+CH3COO]- 815.37011 284.2
[M+Na-2H]- 777.33093 229.7
[M]+ 756.35571 237.0
[M]- 756.35681 237.0
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.