CID 12175338

854095-13-9

Structural Information

Molecular Formula
C16H14F21O3P
SMILES
CCOP(=O)(CCC(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)OCC
InChI
InChI=1S/C16H14F21O3P/c1-3-39-41(38,40-4-2)6-5-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3-6H2,1-2H3
InChIKey
IUUVQAYNLGBYHS-UHFFFAOYSA-N
Compound name
12-diethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

684.03455 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.04183 207.3
[M+Na]+ 707.02377 209.9
[M-H]- 683.02727 217.0
[M+NH4]+ 702.06837 220.0
[M+K]+ 722.99771 222.2
[M+H-H2O]+ 667.03181 188.7
[M+HCOO]- 729.03275 226.5
[M+CH3COO]- 743.04840 263.5
[M+Na-2H]- 705.00922 203.1
[M]+ 684.03400 206.0
[M]- 684.03510 206.0
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.