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 145.3
[M+Na]+ 241.01391 158.0
[M-H]- 217.01741 150.0
[M+NH4]+ 236.05851 161.8
[M+K]+ 256.98785 152.6
[M+H-H2O]+ 201.02195 131.7
[M+HCOO]- 263.02289 161.3
[M+CH3COO]- 277.03854 157.6
[M+Na-2H]- 238.99936 150.5
[M]+ 218.02414 143.6
[M]- 218.02524 143.6
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.