CID 2779656

5-phenyl-1,3,4-oxadiazole-2-carbonyl chloride

Structural Information

Molecular Formula
C9H5ClN2O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C(=O)Cl
InChI
InChI=1S/C9H5ClN2O2/c10-7(13)9-12-11-8(14-9)6-4-2-1-3-5-6/h1-5H
InChIKey
BNBPFMDHCGJSSB-UHFFFAOYSA-N
Compound name
5-phenyl-1,3,4-oxadiazole-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

208.00395 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.011226 139.2
[M+Na]+ 230.993168 149.5
[M-H]- 206.996674 144.3
[M+NH4]+ 226.037773 156.4
[M+K]+ 246.967108 146.9
[M+H-H2O]+ 191.001210 131.8
[M+HCOO]- 253.002151 157.3
[M+CH3COO]- 267.017801 153.0
[M+Na-2H]- 228.978616 145.5
[M]+ 208.00340142 142.7
[M]- 208.00449858 142.7
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