CID 165942919

3-(3-bromophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C9H4BrF3N2O
SMILES
C1=CC(=CC(=C1)Br)C2=NOC(=N2)C(F)(F)F
InChI
InChI=1S/C9H4BrF3N2O/c10-6-3-1-2-5(4-6)7-14-8(16-15-7)9(11,12)13/h1-4H
InChIKey
ZSRRYVCQQOTWSM-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.94592 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.95320 154.1
[M+Na]+ 314.93514 168.3
[M-H]- 290.93864 158.6
[M+NH4]+ 309.97974 171.5
[M+K]+ 330.90908 157.7
[M+H-H2O]+ 274.94318 151.1
[M+HCOO]- 336.94412 170.7
[M+CH3COO]- 350.95977 194.2
[M+Na-2H]- 312.92059 160.9
[M]+ 291.94537 170.9
[M]- 291.94647 170.9
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.