CID 43144175

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

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=CC=CC(=C1)C2=CN=C(O2)CCl
InChI
InChI=1S/C11H10ClNO2/c1-14-9-4-2-3-8(5-9)10-7-13-11(6-12)15-10/h2-5,7H,6H2,1H3
InChIKey
FDQKSUGLWHWEAK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(3-methoxyphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 144.8
[M+Na]+ 246.02923 160.1
[M+NH4]+ 241.07383 153.8
[M+K]+ 262.00317 154.5
[M-H]- 222.03273 149.6
[M+Na-2H]- 244.01468 153.2
[M]+ 223.03946 148.7
[M]- 223.04056 148.7
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