CID 139596615

Qapfsmf n=3

Structural Information

Molecular Formula
C12H22F7N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C12H22F7N2O4S/c1-21(2,7-9-23)6-3-4-20(5-8-22)26(24,25)12(18,19)10(13,14)11(15,16)17/h22-23H,3-9H2,1-2H3/q+1
InChIKey
PLIUODCUGQMJPC-UHFFFAOYSA-N
Compound name
3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.11884 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.12612 188.4
[M+Na]+ 446.10806 194.2
[M-H]- 422.11156 192.7
[M+NH4]+ 441.15266 193.3
[M+K]+ 462.08200 192.8
[M+H-H2O]+ 406.11610 167.5
[M+HCOO]- 468.11704 206.2
[M+CH3COO]- 482.13269 219.1
[M+Na-2H]- 444.09351 181.2
[M]+ 423.11829 186.3
[M]- 423.11939 186.3
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.