CID 20118938

3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]benzonitrile

Structural Information

Molecular Formula
C10H6ClN3O
SMILES
C1=CC(=CC(=C1)C2=NN=C(O2)CCl)C#N
InChI
InChI=1S/C10H6ClN3O/c11-5-9-13-14-10(15-9)8-3-1-2-7(4-8)6-12/h1-4H,5H2
InChIKey
VXBGMUZLSIALKT-UHFFFAOYSA-N
Compound name
3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

219.01994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.027216 142.9
[M+Na]+ 242.009158 155.4
[M-H]- 218.012664 146.0
[M+NH4]+ 237.053763 157.9
[M+K]+ 257.983098 150.6
[M+H-H2O]+ 202.017200 128.1
[M+HCOO]- 264.018141 157.7
[M+CH3COO]- 278.033791 154.8
[M+Na-2H]- 239.994606 148.4
[M]+ 219.01939142 141.1
[M]- 219.02048858 141.1
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