CID 2764058

5-(chloromethyl)-3-(4-methoxyphenyl)isoxazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

223.04001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 145.3
[M+Na]+ 246.02923 155.8
[M-H]- 222.03273 151.7
[M+NH4]+ 241.07383 163.8
[M+K]+ 262.00317 152.8
[M+H-H2O]+ 206.03727 138.7
[M+HCOO]- 268.03821 164.9
[M+CH3COO]- 282.05386 185.6
[M+Na-2H]- 244.01468 151.1
[M]+ 223.03946 150.8
[M]- 223.04056 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

literature stripe

Patent stripe

patents stripe