CID 135429456

4-bromo-2-[3-[3-(trifluoromethyl)-2-pyridyl]-1,2,4-oxadiazol-5-yl]phenol

Structural Information

Molecular Formula
C14H7BrF3N3O2
SMILES
C1=CC(=C(N=C1)C2=NOC(=N2)C3=C(C=CC(=C3)Br)O)C(F)(F)F
InChI
InChI=1S/C14H7BrF3N3O2/c15-7-3-4-10(22)8(6-7)13-20-12(21-23-13)11-9(14(16,17)18)2-1-5-19-11/h1-6,22H
InChIKey
RCWGRAJWMFQBLC-UHFFFAOYSA-N
Compound name
4-bromo-2-[3-[3-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.96738 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.97466 178.7
[M+Na]+ 407.95660 192.6
[M-H]- 383.96010 184.1
[M+NH4]+ 403.00120 190.5
[M+K]+ 423.93054 180.4
[M+H-H2O]+ 367.96464 174.3
[M+HCOO]- 429.96558 192.4
[M+CH3COO]- 443.98123 190.7
[M+Na-2H]- 405.94205 183.1
[M]+ 384.96683 195.6
[M]- 384.96793 195.6
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

patents stripe