CID 60986690

3-[4-(chloromethyl)-1,3-oxazol-2-yl]benzonitrile

Structural Information

Molecular Formula
C11H7ClN2O
SMILES
C1=CC(=CC(=C1)C2=NC(=CO2)CCl)C#N
InChI
InChI=1S/C11H7ClN2O/c12-5-10-7-15-11(14-10)9-3-1-2-8(4-9)6-13/h1-4,7H,5H2
InChIKey
ACIOLUROVVRODE-UHFFFAOYSA-N
Compound name
3-[4-(chloromethyl)-1,3-oxazol-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.02469 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03197 144.8
[M+Na]+ 241.01391 159.4
[M+NH4]+ 236.05851 150.3
[M+K]+ 256.98785 150.4
[M-H]- 217.01741 142.1
[M+Na-2H]- 238.99936 150.4
[M]+ 218.02414 145.7
[M]- 218.02524 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.