CID 162396544

Dtxsid801033084

Structural Information

Molecular Formula
C10H6F15NO4S
SMILES
CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F15NO4S/c1-26(2-3(27)28)31(29,30)10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h2H2,1H3,(H,27,28)
InChIKey
LPJOBWYEYHXLOK-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.9778 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.98508 173.7
[M+Na]+ 543.96702 179.5
[M-H]- 519.97052 184.3
[M+NH4]+ 539.01162 186.0
[M+K]+ 559.94096 186.7
[M+H-H2O]+ 503.97506 163.5
[M+HCOO]- 565.97600 189.9
[M+CH3COO]- 579.99165 238.3
[M+Na-2H]- 541.95247 172.2
[M]+ 520.97725 173.8
[M]- 520.97835 173.8
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.