CID 131668047

Dtxsid401028350

Structural Information

Molecular Formula
C14H15Cl2N3O2
SMILES
C1CC1(C(CC2=C(C(=CC=C2)O)Cl)(CN3C=NC=N3)O)Cl
InChI
InChI=1S/C14H15Cl2N3O2/c15-12-10(2-1-3-11(12)20)6-14(21,13(16)4-5-13)7-19-9-17-8-18-19/h1-3,8-9,20-21H,4-7H2
InChIKey
OSFCZDFLHQXWKG-UHFFFAOYSA-N
Compound name
2-chloro-3-[2-(1-chlorocyclopropyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

327.05414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06142 170.2
[M+Na]+ 350.04336 180.5
[M-H]- 326.04686 173.2
[M+NH4]+ 345.08796 179.0
[M+K]+ 366.01730 173.4
[M+H-H2O]+ 310.05140 162.8
[M+HCOO]- 372.05234 177.9
[M+CH3COO]- 386.06799 179.5
[M+Na-2H]- 348.02881 173.9
[M]+ 327.05359 174.6
[M]- 327.05469 174.6
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

No patent data available for this compound.