CID 3013322

Oprea1_778381

Structural Information

Molecular Formula
C20H12ClFN2O2
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)Cl)F
InChI
InChI=1S/C20H12ClFN2O2/c21-14-5-1-12(2-6-14)19(25)23-16-9-10-18-17(11-16)24-20(26-18)13-3-7-15(22)8-4-13/h1-11H,(H,23,25)
InChIKey
JWISVJZKMFADIH-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.05713 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.06441 183.9
[M+Na]+ 389.04635 195.1
[M-H]- 365.04985 193.5
[M+NH4]+ 384.09095 196.8
[M+K]+ 405.02029 188.5
[M+H-H2O]+ 349.05439 174.0
[M+HCOO]- 411.05533 202.0
[M+CH3COO]- 425.07098 195.5
[M+Na-2H]- 387.03180 187.9
[M]+ 366.05658 188.3
[M]- 366.05768 188.3
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.