CID 11624578

871550-15-1

Structural Information

Molecular Formula
C15H14FN9O
SMILES
C1=CC(=C(C=C1N2C=NC=N2)F)C(CN3C=NC=N3)(CN4C=NC=N4)O
InChI
InChI=1S/C15H14FN9O/c16-14-3-12(25-11-19-8-22-25)1-2-13(14)15(26,4-23-9-17-6-20-23)5-24-10-18-7-21-24/h1-3,6-11,26H,4-5H2
InChIKey
MMBHIHSCHXTGOX-UHFFFAOYSA-N
Compound name
2-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

355.13052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13780 170.3
[M+Na]+ 378.11974 182.6
[M+NH4]+ 373.16434 172.9
[M+K]+ 394.09368 185.0
[M-H]- 354.12324 169.5
[M+Na-2H]- 376.10519 179.7
[M]+ 355.12997 171.5
[M]- 355.13107 171.5
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