CID 218039

Brn 1039900

Structural Information

Molecular Formula
C15H10BrCl2N3O2
SMILES
C1=CC(=CC=C1NC2=NN=C(O2)COC3=C(C=CC(=C3)Cl)Cl)Br
InChI
InChI=1S/C15H10BrCl2N3O2/c16-9-1-4-11(5-2-9)19-15-21-20-14(23-15)8-22-13-7-10(17)3-6-12(13)18/h1-7H,8H2,(H,19,21)
InChIKey
YXRFMCQPSNVIRT-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-5-[(2,5-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.93335 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.94063 180.3
[M+Na]+ 435.92257 194.1
[M-H]- 411.92607 190.2
[M+NH4]+ 430.96717 193.9
[M+K]+ 451.89651 180.8
[M+H-H2O]+ 395.93061 177.9
[M+HCOO]- 457.93155 192.2
[M+CH3COO]- 471.94720 193.2
[M+Na-2H]- 433.90802 185.3
[M]+ 412.93280 204.5
[M]- 412.93390 204.5
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.