CID 99647699

Dtxsid80895330

Structural Information

Molecular Formula
C16H9F25
SMILES
CCCCC(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/C16H9F25/c1-2-3-4-5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)41/h2-4H2,1H3
InChIKey
ADCGKSAFZSUUER-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-pentacosafluorohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

676.0305 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.03778 197.2
[M+Na]+ 699.01972 200.7
[M-H]- 675.02322 206.1
[M+NH4]+ 694.06432 208.1
[M+K]+ 714.99366 215.0
[M+H-H2O]+ 659.02776 183.8
[M+HCOO]- 721.02870 215.0
[M+CH3COO]- 735.04435 262.2
[M+Na-2H]- 697.00517 197.8
[M]+ 676.02995 195.5
[M]- 676.03105 195.5
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.