CID 61552956

3-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C15H9Cl2FN2O
SMILES
C1=CC=C(C(=C1)C2=C(ON=C2C3=CC(=CC(=C3)Cl)Cl)N)F
InChI
InChI=1S/C15H9Cl2FN2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)21-20-14)11-3-1-2-4-12(11)18/h1-7H,19H2
InChIKey
SJGJDDXRQIERAL-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0076 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01488 171.0
[M+Na]+ 344.99682 183.4
[M-H]- 321.00032 178.6
[M+NH4]+ 340.04142 185.6
[M+K]+ 360.97076 176.4
[M+H-H2O]+ 305.00486 162.7
[M+HCOO]- 367.00580 184.4
[M+CH3COO]- 381.02145 183.1
[M+Na-2H]- 342.98227 172.4
[M]+ 322.00705 174.1
[M]- 322.00815 174.1
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.