CID 42614466

1-amino-4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonan-2-ol

Structural Information

Molecular Formula
C10H8F15NO
SMILES
C(C(CN)O)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F15NO/c11-4(12,1-3(27)2-26)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3,27H,1-2,26H2
InChIKey
JPAVGZWMFGAFCC-UHFFFAOYSA-N
Compound name
1-amino-4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

443.03662 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.04390 184.1
[M+Na]+ 466.02584 164.9
[M-H]- 442.02934 164.6
[M+NH4]+ 461.07044 163.6
[M+K]+ 481.99978 188.1
[M+H-H2O]+ 426.03388 169.7
[M+HCOO]- 488.03482 173.8
[M+CH3COO]- 502.05047 228.5
[M+Na-2H]- 464.01129 185.0
[M]+ 443.03607 153.5
[M]- 443.03717 153.5
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.