CID 2776300

5-phenyl-1,3-oxazole-4-carbonyl chloride

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC=C(C=C1)C2=C(N=CO2)C(=O)Cl
InChI
InChI=1S/C10H6ClNO2/c11-10(13)8-9(14-6-12-8)7-4-2-1-3-5-7/h1-6H
InChIKey
BYLADISDYODORG-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-oxazole-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

207.00871 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.015986 140.0
[M+Na]+ 229.997928 150.0
[M-H]- 206.001434 146.4
[M+NH4]+ 225.042533 158.7
[M+K]+ 245.971868 147.2
[M+H-H2O]+ 190.005970 133.6
[M+HCOO]- 252.006911 159.2
[M+CH3COO]- 266.022561 181.5
[M+Na-2H]- 227.983376 145.9
[M]+ 207.00816142 143.5
[M]- 207.00925858 143.5
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

patents stripe