CID 106252

67969-65-7

Structural Information

Molecular Formula
C10H11F13NO6PS
SMILES
CCN(CCOP(=O)(O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H11F13NO6PS/c1-2-24(3-4-30-31(25,26)27)32(28,29)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h2-4H2,1H3,(H2,25,26,27)
InChIKey
WKGHYGHEIVLMOZ-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

550.9837 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.99098 181.5
[M+Na]+ 573.97292 184.4
[M-H]- 549.97642 191.1
[M+NH4]+ 569.01752 192.0
[M+K]+ 589.94686 189.8
[M+H-H2O]+ 533.98096 163.6
[M+HCOO]- 595.98190 198.9
[M+CH3COO]- 609.99755 240.2
[M+Na-2H]- 571.95837 175.2
[M]+ 550.98315 180.5
[M]- 550.98425 180.5
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.