CID 43144171

2-(chloromethyl)-5-(2-methoxyphenyl)-1,3-oxazole

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=CC=CC=C1C2=CN=C(O2)CCl
InChI
InChI=1S/C11H10ClNO2/c1-14-9-5-3-2-4-8(9)10-7-13-11(6-12)15-10/h2-5,7H,6H2,1H3
InChIKey
SJXQWRIEACEHQV-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(2-methoxyphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.