CID 139594325

Dtxsid301028757

Structural Information

Molecular Formula
C13H11Cl2N3O2
SMILES
C1CC(OC1=O)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H11Cl2N3O2/c14-9-1-2-10(11(15)5-9)13(4-3-12(19)20-13)6-18-8-16-7-17-18/h1-2,5,7-8H,3-4,6H2
InChIKey
BGLRJOUJEBUTCP-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

311.02283 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03011 166.1
[M+Na]+ 334.01205 176.8
[M-H]- 310.01555 172.2
[M+NH4]+ 329.05665 181.8
[M+K]+ 349.98599 172.0
[M+H-H2O]+ 294.02009 157.2
[M+HCOO]- 356.02103 176.4
[M+CH3COO]- 370.03668 177.6
[M+Na-2H]- 331.99750 167.1
[M]+ 311.02228 169.3
[M]- 311.02338 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.