CID 71348184

1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol

Structural Information

Molecular Formula
C10H16F7NO3
SMILES
C(CO)N(CCO)CC(CC(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H16F7NO3/c11-8(12,9(13,14)10(15,16)17)5-7(21)6-18(1-3-19)2-4-20/h7,19-21H,1-6H2
InChIKey
SLUCZPNDVUNDLK-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.10184 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10912 166.4
[M+Na]+ 354.09106 171.2
[M-H]- 330.09456 154.5
[M+NH4]+ 349.13566 178.0
[M+K]+ 370.06500 169.1
[M+H-H2O]+ 314.09910 156.1
[M+HCOO]- 376.10004 173.5
[M+CH3COO]- 390.11569 206.9
[M+Na-2H]- 352.07651 166.9
[M]+ 331.10129 156.4
[M]- 331.10239 156.4
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.