CID 43629606

2-(4-bromo-2-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C10H8BrClN2O
SMILES
CC1=C(C=CC(=C1)Br)C2=NN=C(O2)CCl
InChI
InChI=1S/C10H8BrClN2O/c1-6-4-7(11)2-3-8(6)10-14-13-9(5-12)15-10/h2-4H,5H2,1H3
InChIKey
LQYCLCDEXIMPAR-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.95084 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.958116 151.4
[M+Na]+ 308.940058 166.4
[M-H]- 284.943564 159.4
[M+NH4]+ 303.984663 170.2
[M+K]+ 324.913998 154.7
[M+H-H2O]+ 268.948100 150.8
[M+HCOO]- 330.949041 167.7
[M+CH3COO]- 344.964691 166.9
[M+Na-2H]- 306.925506 158.0
[M]+ 285.95029142 174.4
[M]- 285.95138858 174.4
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.