CID 43144167

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

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=CC=CC=C1C2=CN=C(O2)CCl
InChI
InChI=1S/C11H10ClNO/c1-8-4-2-3-5-9(8)10-7-13-11(6-12)14-10/h2-5,7H,6H2,1H3
InChIKey
YFLZUXUJQVCJNW-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(2-methylphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 142.3
[M+Na]+ 230.03431 153.0
[M-H]- 206.03781 148.7
[M+NH4]+ 225.07891 161.6
[M+K]+ 246.00825 149.5
[M+H-H2O]+ 190.04235 135.9
[M+HCOO]- 252.04329 161.8
[M+CH3COO]- 266.05894 156.7
[M+Na-2H]- 228.01976 148.2
[M]+ 207.04454 146.4
[M]- 207.04564 146.4
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.