CID 86278314

2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1h-1,2,4-triazol-1-yl)propane-1,2-diol

Structural Information

Molecular Formula
C14H15Cl2N3O2
SMILES
C1CC1(C(CN2C=NC=N2)(C(C3=CC=CC=C3Cl)O)O)Cl
InChI
InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2
InChIKey
JOFJRMIXOWNPNA-UHFFFAOYSA-N
Compound name
2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.05414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06142 168.3
[M+Na]+ 350.04336 177.5
[M-H]- 326.04686 171.2
[M+NH4]+ 345.08796 176.8
[M+K]+ 366.01730 171.0
[M+H-H2O]+ 310.05140 161.0
[M+HCOO]- 372.05234 175.3
[M+CH3COO]- 386.06799 177.4
[M+Na-2H]- 348.02881 171.9
[M]+ 327.05359 172.0
[M]- 327.05469 172.0
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.