CID 106194

67939-91-7

Structural Information

Molecular Formula
C16H19F18N2O8PS2
SMILES
CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H19F18N2O8PS2/c1-3-35(46(39,40)15(31,32)11(21,22)9(17,18)13(25,26)27)5-7-43-45(37,38)44-8-6-36(4-2)47(41,42)16(33,34)12(23,24)10(19,20)14(28,29)30/h3-8H2,1-2H3,(H,37,38)
InChIKey
UNHYIZUGCWLZHI-UHFFFAOYSA-N
Compound name
bis[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

804.0033 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 805.01058 154.8
[M+Na]+ 826.99252 154.9
[M+NH4]+ 822.03712 155.0
[M+K]+ 842.96646 155.0
[M-H]- 802.99602 154.8
[M+Na-2H]- 824.97797 154.7
[M]+ 804.00275 154.9
[M]- 804.00385 154.9
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.