CID 162345070

Ns00132846

Structural Information

Molecular Formula
C15H16Cl2N2O2
SMILES
CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2O2/c1-15(2,3)13(20)14(19-7-6-18-9-19)21-10-4-5-11(16)12(17)8-10/h4-9,14H,1-3H3
InChIKey
CPHYIXZLIVSSPI-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.05887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.066146 172.1
[M+Na]+ 349.048088 181.1
[M-H]- 325.051594 175.9
[M+NH4]+ 344.092693 186.7
[M+K]+ 365.022028 175.8
[M+H-H2O]+ 309.056130 164.7
[M+HCOO]- 371.057071 181.5
[M+CH3COO]- 385.072721 205.1
[M+Na-2H]- 347.033536 173.0
[M]+ 326.05832142 177.5
[M]- 326.05941858 177.5
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.