CID 162396617

Dtxsid801033034

Structural Information

Molecular Formula
C11H12F13NO5PS
SMILES
CCCN(CCO[P+](=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/C11H11F13NO5PS/c1-2-3-25(4-5-30-31(26)27)32(28,29)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h2-5H2,1H3/p+1
InChIKey
JJWNSDWAJULKCM-UHFFFAOYSA-O
Compound name
hydroxy-oxo-[2-[propyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethoxy]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.99664 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.00392 199.0
[M+Na]+ 570.98586 202.6
[M-H]- 546.98936 208.1
[M+NH4]+ 566.03046 210.5
[M+K]+ 586.95980 205.8
[M+H-H2O]+ 530.99390 179.6
[M+HCOO]- 592.99484 217.2
[M+CH3COO]- 607.01049 236.0
[M+Na-2H]- 568.97131 191.6
[M]+ 547.99609 195.2
[M]- 547.99719 195.2
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.