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

49
Patents

208.00395 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01123 139.2
[M+Na]+ 230.99317 149.5
[M-H]- 206.99667 144.3
[M+NH4]+ 226.03777 156.4
[M+K]+ 246.96711 146.9
[M+H-H2O]+ 191.00121 131.8
[M+HCOO]- 253.00215 157.3
[M+CH3COO]- 267.01780 153.0
[M+Na-2H]- 228.97862 145.5
[M]+ 208.00340 142.7
[M]- 208.00450 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