CID 135465530

4-bromo-2-[1-[3-(trifluoromethyl)-2-pyridyl]pyrazol-3-yl]phenol

Structural Information

Molecular Formula
C15H9BrF3N3O
SMILES
C1=CC(=C(N=C1)N2C=CC(=N2)C3=C(C=CC(=C3)Br)O)C(F)(F)F
InChI
InChI=1S/C15H9BrF3N3O/c16-9-3-4-13(23)10(8-9)12-5-7-22(21-12)14-11(15(17,18)19)2-1-6-20-14/h1-8,23H
InChIKey
CGEBLEHCDUFGDG-UHFFFAOYSA-N
Compound name
4-bromo-2-[1-[3-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.9881 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.99538 179.7
[M+Na]+ 405.97732 193.3
[M-H]- 381.98082 184.3
[M+NH4]+ 401.02192 192.8
[M+K]+ 421.95126 179.3
[M+H-H2O]+ 365.98536 175.2
[M+HCOO]- 427.98630 193.7
[M+CH3COO]- 442.00195 191.4
[M+Na-2H]- 403.96277 183.1
[M]+ 382.98755 195.0
[M]- 382.98865 195.0
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