CID 2724686

84682-23-5

Structural Information

Molecular Formula
C14H14Cl2N2O3
SMILES
C1C(OC(O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)CO
InChI
InChI=1S/C14H14Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,9,11,19H,6-8H2
InChIKey
VJZJGRMLFMJRGG-UHFFFAOYSA-N
Compound name
[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

29
Patents

328.03815 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04543 170.7
[M+Na]+ 351.02737 180.3
[M-H]- 327.03087 177.4
[M+NH4]+ 346.07197 185.2
[M+K]+ 367.00131 176.5
[M+H-H2O]+ 311.03541 163.6
[M+HCOO]- 373.03635 179.6
[M+CH3COO]- 387.05200 181.8
[M+Na-2H]- 349.01282 171.8
[M]+ 328.03760 174.9
[M]- 328.03870 174.9
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