CID 22273931

4-(chloromethyl)-2-(3-methoxyphenyl)-1,3-oxazole

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=CC=CC(=C1)C2=NC(=CO2)CCl
InChI
InChI=1S/C11H10ClNO2/c1-14-10-4-2-3-8(5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3
InChIKey
YPRUBERKIHANLG-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(3-methoxyphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

223.04001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 145.3
[M+Na]+ 246.029228 155.8
[M-H]- 222.032734 151.7
[M+NH4]+ 241.073833 163.8
[M+K]+ 262.003168 152.8
[M+H-H2O]+ 206.037270 138.7
[M+HCOO]- 268.038211 164.9
[M+CH3COO]- 282.053861 185.6
[M+Na-2H]- 244.014676 151.1
[M]+ 223.03946142 150.8
[M]- 223.04055858 150.8
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