CID 24307

2-(chloroacetamido)-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)CNC(=O)Cl
InChI
InChI=1S/C10H8ClN3O2/c11-10(15)12-6-8-13-14-9(16-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)
InChIKey
VWQFUBJIIHICMO-UHFFFAOYSA-N
Compound name
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.037776 148.9
[M+Na]+ 260.019718 157.9
[M-H]- 236.023224 153.8
[M+NH4]+ 255.064323 164.6
[M+K]+ 275.993658 154.9
[M+H-H2O]+ 220.027760 140.8
[M+HCOO]- 282.028701 167.7
[M+CH3COO]- 296.044351 188.5
[M+Na-2H]- 258.005166 155.1
[M]+ 237.02995142 152.0
[M]- 237.03104858 152.0
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.