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]+ 238.03778 148.9
[M+Na]+ 260.01972 157.9
[M-H]- 236.02322 153.8
[M+NH4]+ 255.06432 164.6
[M+K]+ 275.99366 154.9
[M+H-H2O]+ 220.02776 140.8
[M+HCOO]- 282.02870 167.7
[M+CH3COO]- 296.04435 188.5
[M+Na-2H]- 258.00517 155.1
[M]+ 237.02995 152.0
[M]- 237.03105 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.