CID 22009602

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

Structural Information

Molecular Formula
C11H10ClNO
SMILES
C1=CC=C(C=C1)CC2=NC(=CO2)CCl
InChI
InChI=1S/C11H10ClNO/c12-7-10-8-14-11(13-10)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey
CNBVZKFQJIVMFF-UHFFFAOYSA-N
Compound name
2-benzyl-4-(chloromethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

207.04509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 142.0
[M+Na]+ 230.03431 157.5
[M+NH4]+ 225.07891 151.7
[M+K]+ 246.00825 151.1
[M-H]- 206.03781 147.3
[M+Na-2H]- 228.01976 151.1
[M]+ 207.04454 146.2
[M]- 207.04564 146.2
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

patents stripe