CID 759880

67914-85-6

Structural Information

Molecular Formula
C13H13Cl2N3O3
SMILES
C1[C@H](O[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)CO
InChI
InChI=1S/C13H13Cl2N3O3/c14-9-1-2-11(12(15)3-9)13(6-18-8-16-7-17-18)20-5-10(4-19)21-13/h1-3,7-8,10,19H,4-6H2/t10-,13-/m1/s1
InChIKey
NKUOWQPBYUKRIM-ZWNOBZJWSA-N
Compound name
[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

329.0334 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.04068 167.2
[M+Na]+ 352.02262 181.1
[M+NH4]+ 347.06722 175.3
[M+K]+ 367.99656 177.0
[M-H]- 328.02612 171.9
[M+Na-2H]- 350.00807 174.3
[M]+ 329.03285 171.2
[M]- 329.03395 171.2
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

patents stripe