CID 7164570

5-phenyl-isoxazole-3-carbonyl chloride

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC=C(C=C1)C2=CC(=NO2)C(=O)Cl
InChI
InChI=1S/C10H6ClNO2/c11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h1-6H
InChIKey
FUQOIZJIDZZDGY-UHFFFAOYSA-N
Compound name
5-phenyl-1,2-oxazole-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

207.00871 Da
Monoisotopic Mass

3.4
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

literature stripe

Patent stripe

patents stripe