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

79
Patents

207.00871 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01599 140.0
[M+Na]+ 229.99793 150.0
[M-H]- 206.00143 146.4
[M+NH4]+ 225.04253 158.7
[M+K]+ 245.97187 147.2
[M+H-H2O]+ 190.00597 133.6
[M+HCOO]- 252.00691 159.2
[M+CH3COO]- 266.02256 181.5
[M+Na-2H]- 227.98338 145.9
[M]+ 207.00816 143.5
[M]- 207.00926 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