CID 135465528

Schembl6449954

Structural Information

Molecular Formula
C14H10BrN3O
SMILES
C1=CC=NC(=C1)N2C=CC(=N2)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C14H10BrN3O/c15-10-4-5-13(19)11(9-10)12-6-8-18(17-12)14-3-1-2-7-16-14/h1-9,19H
InChIKey
GMEWRFAULRNTCH-UHFFFAOYSA-N
Compound name
4-bromo-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.00073 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.00801 161.4
[M+Na]+ 337.98995 174.1
[M-H]- 313.99345 169.4
[M+NH4]+ 333.03455 176.9
[M+K]+ 353.96389 161.4
[M+H-H2O]+ 297.99799 159.2
[M+HCOO]- 359.99893 180.5
[M+CH3COO]- 374.01458 175.1
[M+Na-2H]- 335.97540 167.5
[M]+ 315.00018 179.7
[M]- 315.00128 179.7
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