CID 15788287

89429-59-4

Structural Information

Molecular Formula
C13H12F2N6O
SMILES
C1=CC(=C(C=C1F)F)C(CN2C=NN=C2)(CN3C=NC=N3)O
InChI
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-17-18-9-20)5-21-7-16-6-19-21/h1-3,6-9,22H,4-5H2
InChIKey
SAXXZPKHUDPGQQ-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

306.10406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11134 164.8
[M+Na]+ 329.09328 175.5
[M-H]- 305.09678 164.7
[M+NH4]+ 324.13788 174.2
[M+K]+ 345.06722 169.7
[M+H-H2O]+ 289.10132 152.3
[M+HCOO]- 351.10226 180.5
[M+CH3COO]- 365.11791 174.7
[M+Na-2H]- 327.07873 168.5
[M]+ 306.10351 164.8
[M]- 306.10461 164.8
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

patents stripe