CID 56658623

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

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
CCOC1=CC=C(C=C1)C2=NC(=CO2)CCl
InChI
InChI=1S/C12H12ClNO2/c1-2-15-11-5-3-9(4-6-11)12-14-10(7-13)8-16-12/h3-6,8H,2,7H2,1H3
InChIKey
GYMFXJDUERCVIF-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.05565 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06293 150.0
[M+Na]+ 260.04487 160.1
[M-H]- 236.04837 156.3
[M+NH4]+ 255.08947 168.0
[M+K]+ 276.01881 156.9
[M+H-H2O]+ 220.05291 143.2
[M+HCOO]- 282.05385 169.3
[M+CH3COO]- 296.06950 188.6
[M+Na-2H]- 258.03032 155.3
[M]+ 237.05510 155.9
[M]- 237.05620 155.9
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