CID 3744610

1-[2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-1-(piperidin-1-yl)propyl]-1h-benzotriazole

Structural Information

Molecular Formula
C17H15F11N4O
SMILES
C1CCN(CC1)C(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C17H15F11N4O/c18-13(15(21,22)23,33-17(27,28)14(19,20)16(24,25)26)12(31-8-4-1-5-9-31)32-11-7-3-2-6-10(11)29-30-32/h2-3,6-7,12H,1,4-5,8-9H2
InChIKey
RWWWNJUOBCWSJO-UHFFFAOYSA-N
Compound name
1-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

500.10703 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.11431 207.1
[M+Na]+ 523.09625 214.6
[M+NH4]+ 518.14085 196.4
[M+K]+ 539.07019 210.6
[M-H]- 499.09975 208.3
[M+Na-2H]- 521.08170 189.7
[M]+ 500.10648 202.3
[M]- 500.10758 234.7
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.