CID 6482138

(1r,2s)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C14H14F2N6O2
SMILES
CO[C@H]([C@@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC=N3
InChI
InChI=1S/C14H14F2N6O2/c1-24-13(22-9-18-7-20-22)14(23,5-21-8-17-6-19-21)11-3-2-10(15)4-12(11)16/h2-4,6-9,13,23H,5H2,1H3/t13-,14-/m1/s1
InChIKey
WZGINLPJAJMCKQ-ZIAGYGMSSA-N
Compound name
(1R,2S)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11462 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12190 171.1
[M+Na]+ 359.10384 180.7
[M-H]- 335.10734 171.1
[M+NH4]+ 354.14844 179.0
[M+K]+ 375.07778 175.9
[M+H-H2O]+ 319.11188 158.6
[M+HCOO]- 381.11282 185.7
[M+CH3COO]- 395.12847 180.4
[M+Na-2H]- 357.08929 173.5
[M]+ 336.11407 172.2
[M]- 336.11517 172.2
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.