CID 132398937

Methyl 5-[4-(chloromethyl)phenyl]-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
COC(=O)C1=C(OC=N1)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C12H10ClNO3/c1-16-12(15)10-11(17-7-14-10)9-4-2-8(6-13)3-5-9/h2-5,7H,6H2,1H3
InChIKey
RXJSUONKMSNCFW-UHFFFAOYSA-N
Compound name
methyl 5-[4-(chloromethyl)phenyl]-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 152.2
[M+Na]+ 274.02415 162.2
[M-H]- 250.02765 158.8
[M+NH4]+ 269.06875 169.4
[M+K]+ 289.99809 159.5
[M+H-H2O]+ 234.03219 145.5
[M+HCOO]- 296.03313 171.0
[M+CH3COO]- 310.04878 190.0
[M+Na-2H]- 272.00960 156.4
[M]+ 251.03438 158.2
[M]- 251.03548 158.2
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.