CID 485895

2-(2,4-difluorophenyl)-1-(3,5-dimethylisoxazol-4-yl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C16H14F4N4O2
SMILES
CC1=C(C(=NO1)C)C(C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O)(F)F
InChI
InChI=1S/C16H14F4N4O2/c1-9-14(10(2)26-23-9)16(19,20)15(25,6-24-8-21-7-22-24)12-4-3-11(17)5-13(12)18/h3-5,7-8,25H,6H2,1-2H3
InChIKey
UHCOPWADCMEZJA-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.1053 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11258 179.6
[M+Na]+ 393.09452 191.2
[M-H]- 369.09802 180.7
[M+NH4]+ 388.13912 188.3
[M+K]+ 409.06846 186.3
[M+H-H2O]+ 353.10256 167.7
[M+HCOO]- 415.10350 192.6
[M+CH3COO]- 429.11915 212.5
[M+Na-2H]- 391.07997 181.0
[M]+ 370.10475 179.6
[M]- 370.10585 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.