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]+ 307.111336 164.8
[M+Na]+ 329.093278 175.5
[M-H]- 305.096784 164.7
[M+NH4]+ 324.137883 174.2
[M+K]+ 345.067218 169.7
[M+H-H2O]+ 289.101320 152.3
[M+HCOO]- 351.102261 180.5
[M+CH3COO]- 365.117911 174.7
[M+Na-2H]- 327.078726 168.5
[M]+ 306.10351142 164.8
[M]- 306.10460858 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