CID 37175

Imazalil

Structural Information

Molecular Formula
C14H14Cl2N2O
SMILES
C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
InChIKey
PZBPKYOVPCNPJY-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

264
References

51383
Patents

296.0483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.055576 165.3
[M+Na]+ 319.037518 174.6
[M-H]- 295.041024 168.3
[M+NH4]+ 314.082123 180.8
[M+K]+ 335.011458 167.9
[M+H-H2O]+ 279.045560 157.2
[M+HCOO]- 341.046501 177.1
[M+CH3COO]- 355.062151 199.6
[M+Na-2H]- 317.022966 166.6
[M]+ 296.04775142 169.8
[M]- 296.04884858 169.8
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