CID 4995785

618441-88-6

Structural Information

Molecular Formula
C17H15BrN2O
SMILES
CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CO
InChI
InChI=1S/C17H15BrN2O/c1-12-3-2-4-16(9-12)20-10-14(11-21)17(19-20)13-5-7-15(18)8-6-13/h2-10,21H,11H2,1H3
InChIKey
UNUUXYYSQRAZOY-UHFFFAOYSA-N
Compound name
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.03677 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04405 175.8
[M+Na]+ 365.02599 181.8
[M+NH4]+ 360.07059 180.3
[M+K]+ 380.99993 181.1
[M-H]- 341.02949 179.0
[M+Na-2H]- 363.01144 181.5
[M]+ 342.03622 176.5
[M]- 342.03732 176.5
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.