CID 218040

Brn 1039903

Structural Information

Molecular Formula
C15H10Cl2IN3O2
SMILES
C1=CC(=CC=C1NC2=NN=C(O2)COC3=C(C=CC(=C3)Cl)Cl)I
InChI
InChI=1S/C15H10Cl2IN3O2/c16-9-1-6-12(17)13(7-9)22-8-14-20-21-15(23-14)19-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,21)
InChIKey
YOJXNRKAMMIHLY-UHFFFAOYSA-N
Compound name
5-[(2,5-dichlorophenoxy)methyl]-N-(4-iodophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.9195 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.92678 183.6
[M+Na]+ 483.90872 187.1
[M-H]- 459.91222 183.6
[M+NH4]+ 478.95332 190.7
[M+K]+ 499.88266 187.1
[M+H-H2O]+ 443.91676 170.8
[M+HCOO]- 505.91770 192.5
[M+CH3COO]- 519.93335 190.4
[M+Na-2H]- 481.89417 175.7
[M]+ 460.91895 186.7
[M]- 460.92005 186.7
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

No patent data available for this compound.