CID 3007640

107659-66-5

Structural Information

Molecular Formula
C18H14Cl4N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)[C@@H]([C@](CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O)O
InChI
InChI=1S/C18H14Cl4N2O2/c19-11-1-3-13(15(21)7-11)17(25)18(26,9-24-6-5-23-10-24)14-4-2-12(20)8-16(14)22/h1-8,10,17,25-26H,9H2/t17-,18-/m0/s1
InChIKey
HBWJVZZCQWFPPG-ROUUACIJSA-N
Compound name
(1S,2R)-1,2-bis(2,4-dichlorophenyl)-3-imidazol-1-ylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.98093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.98821 190.9
[M+Na]+ 452.97015 199.6
[M-H]- 428.97365 192.5
[M+NH4]+ 448.01475 199.7
[M+K]+ 468.94409 191.9
[M+H-H2O]+ 412.97819 183.1
[M+HCOO]- 474.97913 187.3
[M+CH3COO]- 488.99478 197.9
[M+Na-2H]- 450.95560 189.0
[M]+ 429.98038 193.1
[M]- 429.98148 193.1
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.