CID 125425005

2-[5-amino-1-(propan-2-yl)-1h-pyrazol-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

Structural Information

Molecular Formula
C9H11F6N3O
SMILES
CC(C)N1C(=C(C=N1)C(C(F)(F)F)(C(F)(F)F)O)N
InChI
InChI=1S/C9H11F6N3O/c1-4(2)18-6(16)5(3-17-18)7(19,8(10,11)12)9(13,14)15/h3-4,19H,16H2,1-2H3
InChIKey
ODFBBILBFJPTNI-UHFFFAOYSA-N
Compound name
2-(5-amino-1-propan-2-ylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08063 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08791 157.1
[M+Na]+ 314.06985 166.0
[M-H]- 290.07335 149.6
[M+NH4]+ 309.11445 170.7
[M+K]+ 330.04379 162.9
[M+H-H2O]+ 274.07789 146.6
[M+HCOO]- 336.07883 166.6
[M+CH3COO]- 350.09448 200.5
[M+Na-2H]- 312.05530 158.7
[M]+ 291.08008 147.2
[M]- 291.08118 147.2
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.