CID 10286074

133775-25-4

Structural Information

Molecular Formula
C12H13F2N3O2
SMILES
C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)O
InChI
InChI=1S/C12H13F2N3O2/c1-8(18)12(19,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8,18-19H,5H2,1H3/t8-,12-/m1/s1
InChIKey
LSCNANBNVFQJDJ-PRHODGIISA-N
Compound name
(2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

269.0976 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10488 158.0
[M+Na]+ 292.08682 166.4
[M-H]- 268.09032 156.2
[M+NH4]+ 287.13142 170.7
[M+K]+ 308.06076 162.1
[M+H-H2O]+ 252.09486 148.3
[M+HCOO]- 314.09580 172.5
[M+CH3COO]- 328.11145 192.0
[M+Na-2H]- 290.07227 160.7
[M]+ 269.09705 155.3
[M]- 269.09815 155.3
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

patents stripe