CID 3007677

107679-94-7

Structural Information

Molecular Formula
C19H13Cl2FN2O3
SMILES
C1=CC(=CC=C1[C@@H]2[C@@](OC(=O)O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)F
InChI
InChI=1S/C19H13Cl2FN2O3/c20-13-3-6-15(16(21)9-13)19(10-24-8-7-23-11-24)17(26-18(25)27-19)12-1-4-14(22)5-2-12/h1-9,11,17H,10H2/t17-,19-/m1/s1
InChIKey
KGIQUJZSBPBFGH-IEBWSBKVSA-N
Compound name
(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.02872 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.03600 190.5
[M+Na]+ 429.01794 202.0
[M-H]- 405.02144 200.8
[M+NH4]+ 424.06254 202.5
[M+K]+ 444.99188 196.8
[M+H-H2O]+ 389.02598 180.9
[M+HCOO]- 451.02692 199.7
[M+CH3COO]- 465.04257 201.2
[M+Na-2H]- 427.00339 189.0
[M]+ 406.02817 195.3
[M]- 406.02927 195.3
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.