CID 589279

4-phenyl-1,3-oxazole

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC=C(C=C1)C2=COC=N2
InChI
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H
InChIKey
NTFMLYSGIKHECT-UHFFFAOYSA-N
Compound name
4-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2765
Patents

145.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 125.3
[M+Na]+ 168.041978 134.2
[M-H]- 144.045484 131.7
[M+NH4]+ 163.086583 145.6
[M+K]+ 184.015918 133.2
[M+H-H2O]+ 128.050020 118.6
[M+HCOO]- 190.050961 150.3
[M+CH3COO]- 204.066611 140.4
[M+Na-2H]- 166.027426 134.4
[M]+ 145.05221142 126.0
[M]- 145.05330858 126.0
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

patents stripe